data_1b64_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 1b64 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.479 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.1 t -155.42 166.71 32.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.551 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 1.2 t -123.96 128.58 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.419 ' CD1' HG23 ' A' ' 59' ' ' VAL . 6.3 mt -133.55 116.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -94.37 130.57 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -113.87 157.36 22.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.96 123.37 13.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.6 t -127.81 148.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -108.69 131.37 21.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.21 34.94 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.587 1.835 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -54.86 -34.8 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -179.6 179.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -25.84 50.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.41 -38.2 79.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.433 ' CG2' HD13 ' A' ' 24' ' ' LEU . 4.0 m -52.74 102.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.17 102.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -63.49 -34.43 77.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.28 79.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -44.9 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.96 -44.84 96.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.68 -34.43 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 tt0 -75.51 -61.21 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 43.0 t -40.98 -53.81 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 55' ' ' ILE . 49.1 t -45.63 -45.9 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -70.86 -53.16 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 p -38.76 -47.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 77.7 mt -41.86 131.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.13 151.74 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.15 167.47 27.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.56 125.72 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.48 10.51 70.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 7.7 tt -94.93 122.16 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.3 t -113.46 133.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.577 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m95 -104.17 118.11 35.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.05 -147.99 23.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -95.86 141.91 28.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 0.708 . . . . 0.0 109.964 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -96.72 163.93 12.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -127.9 159.67 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -125.1 147.67 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 t -143.71 103.58 4.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.62 21.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.95 -16.54 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.45 55.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.49 164.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.769 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 -59.33 1.69 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.44 158.58 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -151.9 164.71 36.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.86 146.12 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.45 66.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -90.9 137.79 32.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.466 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.72 153.2 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 57' ' ' CYS . 49.3 tp60 -115.83 144.33 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.577 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.1 p -137.05 161.21 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.411 ' CG2' ' CD1' ' A' ' 91' ' ' ILE . 52.4 t -127.65 95.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 64' ' ' VAL . 16.0 m -84.82 169.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -91.32 78.27 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 62.77 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -142.07 26.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -56.77 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 45.6 t -98.49 112.16 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.88 161.7 22.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -75.44 -21.24 58.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.417 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.15 -53.66 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -64.96 -54.88 23.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 5.8 mt -49.47 -44.44 45.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' CG ' HG22 ' A' ' 74' ' ' THR . 16.0 tt0 -62.13 -53.88 49.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 33.8 mt-10 -59.11 -13.59 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.62 -47.35 5.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -72.95 -53.62 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.46 HG22 ' CG ' ' A' ' 70' ' ' GLU . 6.3 p -75.29 -0.65 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -63.22 -14.9 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.88 91.63 4.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -74.74 -4.81 39.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.474 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 t70 -99.0 17.71 19.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 76.8 m-85 -151.19 -45.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.3 t -84.27 123.17 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 5.5 tt0 -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -178.69 112.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.44 ' CB ' HG23 ' A' ' 74' ' ' THR . 0.5 OUTLIER -82.63 152.19 25.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.921 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.01 -174.6 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.58 139.42 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.0 -25.4 14.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.402 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 171.86 173.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.12 97.19 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -153.23 -178.41 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -75.06 170.31 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.551 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 4.5 tt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' CD ' ' HG3' ' A' ' 60' ' ' GLU . 2.4 mmmm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' HG23 ' A' ' 91' ' ' ILE . 30.4 t -153.05 170.86 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.51 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 26.4 t -130.47 151.1 51.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 88' ' ' PHE . 3.7 mp -138.03 120.42 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD23 ' NE2' ' A' ' 54' ' ' GLN . 15.8 tp -90.52 116.45 28.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 66' ' ' THR . 0.7 OUTLIER -94.95 163.45 13.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -150.12 89.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG1' HG12 ' A' ' 80' ' ' VAL . 75.1 t -94.08 155.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -115.15 136.12 22.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 151.99 40.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -62.29 -24.77 67.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.09 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -15.35 42.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.59 -34.26 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.404 ' CG2' HD13 ' A' ' 24' ' ' LEU . 2.3 m -67.23 88.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -40.1 122.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 49.9 mmm -76.55 -30.59 57.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.72 81.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -66.67 -51.2 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -53.15 -41.08 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.19 -59.62 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.49 -54.97 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' SER . 12.2 t -42.13 -58.42 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -43.39 -52.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -32.42 73.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.3 p -64.65 -24.68 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 mm -65.72 129.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -124.0 164.64 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.15 158.35 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.12 147.87 52.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.61 21.48 4.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.2 127.27 52.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -129.77 114.3 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 23.3 m95 -72.81 -176.9 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.6 -97.91 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.4 m -154.43 133.86 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 109.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.5 p -92.69 158.78 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.32 158.81 33.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.38 154.28 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 t -152.7 104.07 2.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 136.14 20.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.62 -74.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.16 154.83 26.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.5 -161.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 0.812 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 49.45 4.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.7 mt -126.89 160.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.408 0.71 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 1.9 mptt -151.05 166.89 29.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -87.25 129.49 34.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.17 68.73 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.6 tt0 -94.47 141.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -146.01 160.57 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.1 tm0? -130.37 143.27 50.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 2.7 p -139.38 174.81 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.403 ' CG2' HD12 ' A' ' 91' ' ' ILE . 97.5 t -134.12 86.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.443 ' HB ' ' CG1' ' A' ' 64' ' ' VAL . 1.5 m -84.77 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 2.1 mp0 -83.05 -172.71 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.94 -57.59 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.36 24.77 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -38.99 7.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.443 ' CG1' ' HB ' ' A' ' 59' ' ' VAL . 53.4 t -140.3 147.77 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.76 -104.41 1.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 66' ' ' THR . 2.7 m -162.9 27.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.441 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.71 -43.47 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 ttp -75.38 -51.74 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 36' ' ' LEU . 74.7 mt -53.42 -29.51 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' O ' ' OG1' ' A' ' 74' ' ' THR . 27.6 tt0 -74.92 -57.43 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 5.3 pt-20 -58.31 -13.33 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -96.44 -45.6 6.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 13.5 mt -75.51 -53.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 19.6 p -70.16 -14.5 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -49.55 -25.64 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.91 84.92 5.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -4.64 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -151.8 -44.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG12 ' CG1' ' A' ' 12' ' ' VAL . 62.3 t -84.58 127.04 40.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.549 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.9 tt0 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -179.93 115.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -86.23 151.83 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.36 -173.7 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -108.15 144.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.55 -21.02 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 176.01 167.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CD1' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -155.12 97.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' OG ' ' A' ' 6' ' ' SER . 43.2 m-80 -150.95 178.27 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 5.9 ttpm? -78.64 165.04 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.51 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.525 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.752 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 7.2 mmtp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.651 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.8 t -155.02 167.72 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.091 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 27.6 t -127.95 150.17 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.405 ' CD1' HG21 ' A' ' 59' ' ' VAL . 4.3 mp -137.77 119.13 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' NE2' ' A' ' 54' ' ' GLN . 12.6 tp -84.53 108.63 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mp -84.84 150.86 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 97.06 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -100.9 156.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.52 128.34 24.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.75 19.56 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 2.0 m95 -44.37 -37.9 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -175.16 -171.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -25.8 68.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.08 -40.39 89.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 24' ' ' LEU . 31.2 m -50.56 101.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.74 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.408 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 6.6 mtp -56.47 -33.87 66.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.42 85.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -77.16 -50.07 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD1' HG23 ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.16 -36.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.03 -62.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 20.6 mm-40 -53.26 -51.75 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -43.98 -54.3 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.523 HG12 ' CH2' ' A' ' 38' ' ' TRP . 24.7 t -52.19 -39.06 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 23.1 mtt180 -70.71 -55.94 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 p -46.4 -40.82 12.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.479 HG23 ' CD2' ' A' ' 69' ' ' LEU . 62.4 mt -50.34 129.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -135.32 167.42 21.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.77 165.46 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.02 138.72 54.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.72 14.62 23.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' CD1' ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -101.2 130.61 47.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -129.85 126.04 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CH2' HG12 ' A' ' 28' ' ' VAL . 19.4 m95 -90.94 125.52 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.96 -142.39 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.157 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.32 126.65 52.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 55' ' ' ILE . 78.1 p -84.65 168.89 14.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -132.75 157.82 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 2.1 mm? -122.56 149.64 43.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 65.6 t -155.17 116.42 2.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 140.51 25.43 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.52 179.43 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.64 -122.51 1.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.8 p90 -145.58 104.75 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.54 -26.14 21.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.4 mp -87.14 162.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -139.48 166.33 24.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -92.56 141.15 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -103.28 71.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' NE2' HD23 ' A' ' 9' ' ' LEU . 1.5 tt0 -93.84 140.0 30.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -144.48 166.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -129.42 144.88 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.4 p -135.88 162.96 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.45 84.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . 2.9 m -84.72 175.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.52 -173.27 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.25 17.64 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.87 -62.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.1 p -134.9 146.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.44 -175.96 14.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 m -73.51 57.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.388 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -61.92 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.64 -42.5 95.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.479 ' CD2' HG23 ' A' ' 31' ' ' ILE . 14.1 mt -57.93 -44.0 86.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' O ' ' OG1' ' A' ' 74' ' ' THR . 21.3 tt0 -61.81 -57.55 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 2.2 mm-40 -57.53 -13.77 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 -48.46 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.7 mt -72.8 -53.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 11.0 p -72.97 -2.49 21.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -64.67 -13.0 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.72 89.8 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -4.74 56.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.2 t70 -96.34 14.18 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 49.0 m-85 -147.71 -44.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -84.86 131.56 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.558 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 3.3 tt0 -85.89 -34.66 20.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 173.43 114.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 83' ' ' MET . 1.1 tmt? -87.54 151.36 23.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -154.37 -172.91 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.6 p -107.56 139.98 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.2 -24.65 15.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 177.51 171.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.95 101.77 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -142.45 164.85 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 146.52 28.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.651 ' H ' ' HA ' ' A' ' 6' ' ' SER . 7.1 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.733 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 5.9 mmtp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.721 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -151.78 169.48 22.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.53 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -114.94 143.41 45.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' A' ' 88' ' ' PHE . 8.6 mm -142.12 115.19 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 18.0 tp -95.43 119.42 33.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 66' ' ' THR . 10.3 mp -102.0 151.62 21.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.46 101.54 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.6 t -99.37 142.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.61 122.75 39.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 139.93 24.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.7 m95 -42.72 -39.59 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 107.962 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.88 -170.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -22.59 67.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' THR . 8.6 pt-20 -62.2 -34.83 77.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 14' ' ' PRO . 1.0 OUTLIER -60.75 98.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.4 mmm -65.71 -45.82 81.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.42 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -48.5 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -59.25 -49.18 78.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.44 -57.34 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.21 -61.14 2.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' SER . 42.2 t -43.96 -54.36 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.3 t -41.93 -48.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.42 75.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' CYS . 5.8 p -56.78 -27.91 60.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 41.1 mm -52.66 121.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.78 144.12 44.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.77 162.02 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.29 143.47 50.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.18 21.32 11.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -109.5 129.21 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.81 128.16 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.508 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 32.9 m95 -93.97 112.91 24.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 108.06 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.46 -77.6 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 141.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 p -102.16 153.58 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 164.82 27.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -117.06 151.99 35.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.5 t -149.32 101.42 3.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 138.17 22.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.18 -62.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 48' ' ' TYR . . . -99.61 -60.51 0.85 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.1 -38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.03 -56.96 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.3 mp -85.94 163.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.24 161.08 38.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.09 137.72 32.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -96.21 81.3 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -107.58 138.67 43.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -151.1 145.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.391 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 60.0 tp60 -109.75 143.86 38.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -137.8 161.43 36.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.4 t -117.74 80.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 m -84.54 175.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -84.16 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 -46.78 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.51 26.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -96.05 -70.04 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.96 144.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.98 161.48 12.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 10' ' ' LEU . 1.3 m -75.07 -21.63 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.45 -56.1 3.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -40.32 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 ' CD2' HD23 ' A' ' 36' ' ' LEU . 24.4 mt -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.478 ' O ' ' CG2' ' A' ' 74' ' ' THR . 24.1 tt0 -66.67 -44.08 82.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.97 -1.44 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -110.69 -49.04 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -56.04 -24.75 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' THR . . . -39.53 -31.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -85.34 74.44 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -62.75 -13.33 31.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.06 7.97 16.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -145.84 -44.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.3 t -84.35 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.5 tt0 -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m 170.09 115.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -75.25 153.28 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.452 ' N ' ' SD ' ' A' ' 83' ' ' MET . 1.2 m-20 -148.32 -174.03 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.75 129.07 70.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.55 -31.46 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 179.84 170.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CE1' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -148.62 95.15 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -140.73 -177.89 5.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -90.3 147.81 23.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.721 ' H ' ' HA ' ' A' ' 6' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.759 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' CD ' ' HA ' ' A' ' 60' ' ' GLU . 1.1 mmtt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.434 ' C ' HG23 ' A' ' 91' ' ' ILE . 9.5 t -151.42 168.91 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.045 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.528 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -111.67 137.18 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.4 HG13 ' CG1' ' A' ' 59' ' ' VAL . 5.5 mm -138.86 108.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 12.0 tp -92.36 138.44 31.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 4.5 tp -121.22 162.14 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -143.2 106.34 4.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -101.24 136.43 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 123.35 51.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 138.5 23.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -43.1 -37.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.64 -174.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -15.75 37.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.15 -31.04 60.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.454 ' CG2' HD13 ' A' ' 24' ' ' LEU . 1.3 m -62.92 108.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.9 154.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.46 ' CE ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -110.98 -36.25 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -70.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -61.22 2.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.6 OUTLIER -41.4 -45.47 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.56 -61.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 13.2 mm-40 -45.64 -53.18 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -56.02 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.436 1.085 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG11 ' CH2' ' A' ' 38' ' ' TRP . 61.4 t -46.93 -42.36 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 mtt85 -65.69 -50.63 64.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -38.84 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.481 ' CD1' ' CG1' ' A' ' 73' ' ' ILE . 2.1 mt -40.17 141.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' N ' HG21 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -153.08 148.64 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 36' ' ' LEU . . . -158.29 153.13 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -54.98 -55.53 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.98 16.14 44.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -119.91 126.02 49.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.373 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' VAL . 28.8 t -129.93 114.41 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 24.2 m95 -77.09 144.38 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 -100.02 1.85 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 132.82 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 0.705 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.3 p -88.69 170.61 10.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -135.22 156.63 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -119.47 154.17 34.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.2 t -151.89 113.02 2.92 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.232 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.59 23.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 47' ' ' GLY . 1.4 p -90.41 -155.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' ' CG1' ' A' ' 46' ' ' VAL . . . -122.43 74.16 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.94 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.38 -12.69 2.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -84.27 164.93 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.73 . . . . 0.0 109.351 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -131.74 158.97 39.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.7 152.87 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -115.69 68.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 5.9 mt-30 -95.47 148.91 21.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -152.0 158.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.421 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 37.0 tp60 -126.53 144.31 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 26.3 p -139.02 -172.52 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' VAL . 78.2 t -143.42 97.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' CG1' HG13 ' A' ' 8' ' ' ILE . 1.1 m -84.94 165.9 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -92.14 101.44 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.3 t0 53.75 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -151.91 24.44 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -37.93 18.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -109.94 135.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.66 176.53 20.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -76.41 47.57 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 110.398 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.28 -64.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -42.16 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -60.44 -47.06 87.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.478 ' CG ' HG22 ' A' ' 74' ' ' THR . 49.3 tt0 -56.19 -56.1 25.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 4.0 mm-40 -57.16 -16.02 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG2' ' CG1' ' A' ' 31' ' ' ILE . 1.7 tt0 -95.46 -46.73 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG1' ' CD1' ' A' ' 31' ' ' ILE . 56.1 mt -74.89 -59.01 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.478 HG22 ' CG ' ' A' ' 70' ' ' GLU . 15.6 p -66.76 -8.42 28.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -53.55 -20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.09 85.47 3.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -71.78 -4.6 28.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.09 19.1 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -153.73 -44.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.2 t -84.87 125.75 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -84.88 -38.06 19.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.8 m 179.98 118.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.465 ' CB ' HG23 ' A' ' 74' ' ' THR . 0.9 OUTLIER -90.63 150.88 21.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.077 . . . . 0.0 110.95 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.9 m-20 -153.84 -173.51 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.29 150.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.0 -22.77 13.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 171.57 176.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.42 98.31 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' OG ' ' A' ' 6' ' ' SER . 33.3 t30 -151.36 173.81 14.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -77.67 171.03 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.528 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.686 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 1.2 mmmm . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 59' ' ' VAL . 1.4 p -151.36 157.28 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.49 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 4.4 t -129.23 103.83 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.559 HG12 ' CD1' ' A' ' 88' ' ' PHE . 3.3 mp -91.09 141.41 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' N ' HG21 ' A' ' 8' ' ' ILE . 5.4 tp -114.44 106.18 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 10' ' ' LEU . 8.6 mp -87.38 153.84 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.96 100.07 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' CG1' HG11 ' A' ' 80' ' ' VAL . 20.2 t -105.95 145.62 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.55 136.46 20.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 155.87 43.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -65.08 -31.81 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.71 176.72 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -21.24 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.79 -41.13 83.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' MET . 2.0 m -47.68 106.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -51.41 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' THR . 1.1 mtt -59.41 -41.52 89.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -59.66 -43.94 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -67.99 -41.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -45.33 94.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.08 -32.8 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 2.2 tt0 -69.07 -58.96 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.18 -54.59 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.424 ' CG1' HG13 ' A' ' 55' ' ' ILE . 54.8 t -44.75 -73.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp180 -49.07 -28.88 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.5 ' CG2' ' CD2' ' A' ' 69' ' ' LEU . 33.0 mt -64.29 131.34 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.42 141.8 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.197 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -156.67 141.84 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.26 -54.96 20.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.25 28.3 6.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -124.6 133.42 53.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -138.13 108.39 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 109.388 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.608 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 36.3 m95 -74.0 129.64 38.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.11 -61.18 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.6 p -87.67 163.75 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.984 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -133.4 162.33 32.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -121.99 148.45 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' LYS . 2.5 t -144.82 101.76 4.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.5 31.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -96.41 -71.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.18 -79.95 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 85.7 t80 -171.6 82.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.75 -43.48 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.37 153.82 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.777 . . . . 0.0 109.269 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -137.55 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -85.43 125.52 33.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.08 70.58 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.487 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 3.5 mt-30 -96.24 148.82 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.487 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -153.9 148.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -122.85 146.42 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.608 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -132.73 -165.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.1 t -150.03 68.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 8' ' ' ILE . 3.8 m -84.51 174.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 1.3 mm-40 -84.75 171.89 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.73 5.05 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.96 25.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.05 -77.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.02 165.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.59 -178.54 17.23 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.1 m -75.53 56.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 0.821 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.41 -40.75 95.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 19.5 mt -57.74 -52.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' CG ' HG22 ' A' ' 74' ' ' THR . 25.5 tt0 -53.54 -56.4 17.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 3.4 mm-40 -59.0 -13.94 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -95.75 -46.49 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.81 -57.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.423 HG22 ' CG ' ' A' ' 70' ' ' GLU . 15.2 p -67.57 -8.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -56.53 -20.49 20.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -100.57 91.55 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -78.26 -4.84 49.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -96.67 15.53 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -148.69 -44.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.438 HG11 ' CG1' ' A' ' 12' ' ' VAL . 37.9 t -84.36 126.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 9.9 tt0 -84.63 -38.63 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p 179.35 106.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.41 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.7 OUTLIER -75.52 152.43 37.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -150.24 -173.35 4.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.25 134.98 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -96.57 -24.33 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 175.58 162.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -154.49 92.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -154.76 -177.85 6.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.67 149.99 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 7' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.764 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.475 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.6 OUTLIER -153.77 169.53 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.547 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 35.6 t -142.39 148.53 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.553 HG22 ' CE2' ' A' ' 88' ' ' PHE . 1.8 mp -141.42 126.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.465 ' CD2' ' NE2' ' A' ' 54' ' ' GLN . 12.2 tp -95.12 137.66 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.33 160.21 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -147.27 97.59 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG1' HG11 ' A' ' 80' ' ' VAL . 58.6 t -102.0 150.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.78 139.5 21.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 160.91 39.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 3.1 m95 -74.33 -37.42 63.56 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.2 178.5 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.54 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.98 -34.11 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.9 -31.23 64.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.481 ' CG2' HD13 ' A' ' 24' ' ' LEU . 69.7 m -42.81 98.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 1.7 t0 -47.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.27 -33.36 73.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.083 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -68.97 -38.29 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -73.82 -52.44 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -53.96 -41.54 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.49 -43.76 54.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 22' ' ' ALA . 4.6 mm-40 -62.41 -59.16 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -58.68 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 108.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 55' ' ' ILE . 55.4 t -40.7 -50.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -48.33 69.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.05 -48.32 22.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 85.1 mt -40.82 130.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -137.52 146.03 43.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' N ' HD21 ' A' ' 36' ' ' LEU . . . -158.26 169.28 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.77 146.44 51.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.191 . . . . 0.0 109.24 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.79 21.41 4.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' CD2' HD23 ' A' ' 69' ' ' LEU . 42.3 tp -109.38 135.13 50.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.445 ' CG1' ' HB ' ' A' ' 58' ' ' VAL . 3.8 t -129.77 140.02 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 11.3 m95 -108.48 98.04 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.85 -115.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.4 134.61 36.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.6 p -87.73 169.94 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.66 150.82 44.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 52' ' ' LYS . 2.4 mm? -119.84 152.73 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 87.1 t -153.41 96.66 2.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.15 21.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.3 t -97.99 -55.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 173.54 -161.94 32.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 49.79 -90.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 0.749 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -166.69 27.78 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 17' ' ' ASP . 15.0 mm -113.37 165.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -147.6 163.38 36.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 7.2 tttt -84.47 129.04 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -93.94 61.94 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' NE2' ' CD2' ' A' ' 9' ' ' LEU . 1.9 tt0 -93.0 139.3 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.461 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.28 162.78 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' OE1' ' C ' ' A' ' 8' ' ' ILE . 4.1 tp-100 -130.0 143.62 50.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -137.87 160.79 38.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.354 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HB ' ' CG1' ' A' ' 37' ' ' VAL . 65.1 t -122.84 98.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.0 m -84.98 170.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -88.62 82.39 6.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 6' ' ' SER . 0.8 OUTLIER 58.96 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t70 -142.75 25.82 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -57.9 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.5 t -92.69 104.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.24 160.42 30.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -71.15 -8.66 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.452 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 ttp -59.89 -55.66 31.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.185 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 36' ' ' LEU . 59.3 mt -50.41 -41.34 52.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' THR . 29.5 tt0 -64.07 -52.59 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.9 OUTLIER -60.31 -13.92 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -99.38 -44.21 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.8 mt -74.25 -54.17 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.445 HG22 ' CG ' ' A' ' 70' ' ' GLU . 8.6 p -74.77 -2.2 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -61.2 -16.41 44.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.16 90.18 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.46 -8.66 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.43 13.79 16.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -149.09 -43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.453 HG11 ' CG1' ' A' ' 12' ' ' VAL . 39.3 t -84.06 125.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.377 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 31.8 tt0 -84.41 -38.79 19.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -179.49 112.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -85.18 151.65 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.27 -174.63 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.97 138.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 87' ' ' ALA . . . -98.78 -27.22 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 86' ' ' ALA . . . 167.6 169.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.397 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CE2' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -153.46 102.5 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -154.03 172.19 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 143.77 45.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.547 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.775 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' HG23 ' A' ' 91' ' ' ILE . 15.7 t -142.42 168.36 19.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.088 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.543 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -114.9 149.35 37.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.943 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.416 ' CD1' HG12 ' A' ' 59' ' ' VAL . 3.4 mp -153.16 119.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 7.1 tp -102.06 145.12 29.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' CE ' ' A' ' 83' ' ' MET . 6.4 mp -129.67 155.12 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.42 88.57 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.28 146.37 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -113.94 130.49 23.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.0 36.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -69.83 -35.09 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.026 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.51 -178.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.83 -21.83 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.56 -32.45 73.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -69.82 108.78 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -61.63 128.27 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.0 mmm -84.76 -7.66 59.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.31 -36.02 22.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HG3' ' CB ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -82.75 -48.73 10.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -38.62 72.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.2 -52.19 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.68 -57.53 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.63 -53.83 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.608 1.193 . . . . 0.0 108.383 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.573 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -46.87 -40.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -52.97 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -38.93 -45.43 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.057 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.439 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 7.4 mt -44.22 129.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -150.76 137.33 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 166.94 29.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.72 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.23 8.49 44.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 69' ' ' LEU . 30.7 tp -111.58 137.43 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.9 t -142.89 141.66 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 64.6 m95 -97.73 -176.27 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.56 -136.34 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.7 m -108.32 128.71 54.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.6 p -87.92 163.17 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -130.1 156.52 44.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.385 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.14 153.06 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.2 t -152.61 100.12 2.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.366 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.15 18.73 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -148.48 44.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 152.14 106.5 0.31 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -38.29 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.28 -46.31 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLY . 2.7 mp -94.47 158.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -155.02 163.32 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.96 137.13 33.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.4 64.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.42 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 6.9 tt0 -90.11 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -149.9 164.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -130.01 142.08 50.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 5.9 p -127.85 178.18 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.4 t -141.15 108.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.416 HG12 ' CD1' ' A' ' 8' ' ' ILE . 1.6 m -92.4 166.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.0 tt0 -97.41 109.38 22.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.7 t70 47.44 -92.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -146.47 24.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -38.03 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 t -109.6 132.27 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.44 166.31 22.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 85.9 m -75.72 52.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.42 -54.37 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 1.6 ttp -72.58 -43.08 63.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 36' ' ' LEU . 4.3 mt -55.51 -41.74 73.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.424 ' O ' ' OG1' ' A' ' 74' ' ' THR . 19.7 tt0 -61.96 -56.55 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 16.4 mt-10 -58.1 -13.99 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 68' ' ' MET . 4.4 mm-40 -97.46 -47.6 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.3 mt -72.9 -52.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 13.4 p -74.37 -1.01 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -67.04 -19.36 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.6 90.77 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 111.0 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.1 mt-10 -77.14 -4.38 44.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -97.41 14.45 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 61.3 m-85 -150.31 -44.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -84.62 123.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 8.3 tt0 -84.15 -40.55 18.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p 177.74 107.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.461 ' CE ' HD22 ' A' ' 10' ' ' LEU . 5.9 ttt -80.54 153.37 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 83' ' ' MET . 7.7 m-20 -147.06 -175.24 4.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 143.55 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 87' ' ' ALA . . . -103.67 -27.29 12.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 86' ' ' ALA . . . 167.08 175.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.7 98.07 2.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.587 1.179 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' SER . 53.4 m-20 -143.74 -175.63 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -74.49 164.23 26.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.543 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.777 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 1.4 mmmm . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 t -155.95 167.67 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.049 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.5 ' CB ' HD11 ' A' ' 91' ' ' ILE . 2.4 t -128.36 142.53 51.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.0 120.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 tp -100.82 98.47 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD21 ' CE ' ' A' ' 83' ' ' MET . 1.6 mp -95.21 137.73 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -118.98 96.28 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' CG1' HG11 ' A' ' 80' ' ' VAL . 20.9 t -84.85 146.55 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -108.6 129.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.453 ' HG3' ' CE ' ' A' ' 21' ' ' MET . 18.4 Cg_endo -75.06 146.77 32.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -55.96 -38.88 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.34 174.88 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.4 -29.61 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 15.4 pt-20 -57.15 -49.46 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.433 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 12.9 m -38.4 114.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 100.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.453 ' CE ' ' HG3' ' A' ' 14' ' ' PRO . 56.4 mmm -69.04 -17.48 63.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.16 -37.32 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -77.71 -46.28 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -54.03 -39.05 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 2.8 tt0 -75.61 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 27' ' ' CYS . 3.3 pt-20 -50.92 -42.49 59.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 51.6 t -58.54 -53.49 57.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 108.282 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 40.4 t -45.31 -60.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -50.74 -43.91 58.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -49.21 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 97.9 mt -44.54 133.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 164.09 26.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 35' ' ' GLY . . . -169.51 62.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 35' ' ' GLY . 1.7 t70 40.87 -90.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . -76.54 38.2 1.44 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 34' ' ' ASP . 0.7 OUTLIER -113.57 109.14 18.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -103.05 136.29 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m95 -106.73 79.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -37.74 -60.96 1.16 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.563 1.165 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER 161.88 129.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.468 ' OG ' ' CG ' ' A' ' 25' ' ' GLU . 57.5 p -85.76 155.63 20.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 166.25 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 52' ' ' LYS . 1.4 mm? -117.83 151.59 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.66 99.51 6.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.69 19.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.26 -35.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.02 -122.17 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 25.2 p90 -139.11 97.42 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.26 -50.3 0.88 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.592 1.183 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.9 mp -96.04 163.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -152.54 163.96 38.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 2.2 mttt -85.68 138.68 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.46 72.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 3.2 tt0 -100.0 144.77 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -151.29 149.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -115.89 144.09 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -148.55 152.54 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 t -117.93 85.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.54 173.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.12 178.63 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.63 2.69 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -155.06 24.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -126.38 -78.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.8 t -107.17 165.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.34 -98.11 0.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -164.63 -40.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 5.4 p-10 -36.93 -46.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 9.2 ttp -63.6 -57.71 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.95 -42.6 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 74' ' ' THR . 3.2 tt0 -58.07 -54.43 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -67.25 -8.73 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 68' ' ' MET . 1.1 mm100 -96.11 -53.69 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -73.78 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -60.21 -20.97 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -40.54 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -89.57 86.96 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -73.51 -4.56 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.55 16.6 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.68 -43.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.437 HG11 ' CG1' ' A' ' 12' ' ' VAL . 86.5 t -84.1 123.0 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.581 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.1 tt0 -84.33 -29.11 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.4 m 163.45 117.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.477 ' CE ' HD21 ' A' ' 10' ' ' LEU . 5.9 ttt -78.59 157.86 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.467 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.6 m-20 -149.42 -174.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.83 124.98 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.85 -21.57 29.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.192 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 173.64 145.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.13 88.25 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -143.73 -174.7 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -74.4 164.11 26.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 7' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.776 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 31.9 t -145.87 161.95 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -107.43 143.68 35.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.0 mp -143.66 98.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 23.1 tp -86.34 125.87 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 HD22 ' CE ' ' A' ' 83' ' ' MET . 10.9 mp -108.57 151.85 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.44 83.4 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 t -87.19 143.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -111.33 132.76 21.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.93 161.26 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -68.6 -31.76 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 108.052 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.41 -172.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -21.91 60.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.63 -38.37 80.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.473 ' CG2' HD11 ' A' ' 24' ' ' LEU . 24.2 m -46.6 108.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.27 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.219 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER -58.47 -42.49 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -54.61 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD11 ' CG2' ' A' ' 19' ' ' THR . 0.8 OUTLIER -55.88 -41.76 74.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.96 -46.43 68.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.8 mm-40 -65.74 -63.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -42.16 -57.14 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' CYS . 2.2 t -39.53 -45.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLU . 8.0 mtp180 -74.68 -44.56 49.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 p -49.91 -38.46 36.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 73' ' ' ILE . 92.2 mt -45.08 125.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -130.27 121.22 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -128.58 169.0 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.83 142.64 54.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 44.37 25.68 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . 3.2 tt -106.31 127.99 53.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -117.51 143.4 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m95 -109.35 108.29 18.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.97 -134.28 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -112.57 134.3 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.3 p -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.89 156.15 49.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -121.23 149.45 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.7 t -154.78 101.51 2.34 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.44 35.2 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.594 1.839 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.81 -92.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.172 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.71 90.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.31 -64.25 0.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.6 mp -94.81 162.57 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 0.81 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -153.57 159.28 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 148.79 26.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 74.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.408 ' NE2' HD22 ' A' ' 9' ' ' LEU . 8.3 tt0 -96.36 136.96 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -147.19 156.05 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 2.4 tp-100 -121.0 141.3 50.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 1.078 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -130.6 162.63 28.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' SER . 17.4 t -124.47 107.16 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 8' ' ' ILE . 8.5 m -98.08 172.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.3 mm-40 -91.79 78.42 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' A' ' 62' ' ' ASP . 2.8 t70 59.31 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLU . 19.4 t0 -137.37 26.34 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -50.49 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.95 123.12 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.24 164.8 15.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.432 HG22 ' CD2' ' A' ' 10' ' ' LEU . 20.0 m -75.05 -21.24 59.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 0.697 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.98 -59.32 1.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.413 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 1.7 ttp -58.26 -51.34 70.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.7 mt -52.15 -51.68 56.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -54.5 -54.84 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -59.57 -14.2 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' OE1' ' CE ' ' A' ' 68' ' ' MET . 1.8 tt0 -95.89 -49.66 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 31' ' ' ILE . 8.8 mt -75.43 -65.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.11 -20.89 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.19 -31.28 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -88.83 89.33 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -75.71 -8.28 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -92.0 9.3 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 32.5 m-85 -142.05 -42.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -83.97 124.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 4.7 tt0 -85.01 -35.38 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 p 171.16 103.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.935 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.471 ' CG ' ' N ' ' A' ' 84' ' ' ASP . 8.8 ttt -75.2 158.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 111.059 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 83' ' ' MET . 1.9 m-20 -150.17 -175.82 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -108.64 134.08 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.43 -32.51 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 173.95 176.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.21 90.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -146.01 172.69 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.81 159.43 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 13.9 mmtp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.77 148.53 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.523 ' CB ' HD12 ' A' ' 91' ' ' ILE . 3.3 t -88.06 148.15 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.47 HD13 ' CE1' ' A' ' 88' ' ' PHE . 11.6 mm -141.99 103.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 11.2 tp -107.55 101.78 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' CD2' ' HE1' ' A' ' 83' ' ' MET . 1.1 mt -99.72 138.4 36.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.45 101.19 7.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG11 ' CG1' ' A' ' 80' ' ' VAL . 84.8 t -89.5 154.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.64 128.37 25.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 136.32 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -45.6 -38.72 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 178.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.15 -23.74 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.58 -39.83 88.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 24' ' ' LEU . 2.0 m -59.97 104.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.34 146.88 3.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.1 mmm -107.9 -10.39 15.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.79 -57.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 6.6 mttt -61.67 -44.75 96.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -57.08 -42.28 80.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.24 -56.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -55.85 -35.47 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -66.62 -52.5 44.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.592 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 2.5 t -48.64 -39.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -75.03 -48.05 25.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -46.03 -42.98 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.431 ' CD1' ' CG1' ' A' ' 73' ' ' ILE . 67.5 mt -39.97 123.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -111.59 137.35 49.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.68 161.54 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -70.15 153.32 43.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.91 30.64 0.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.36 131.76 53.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -126.74 109.41 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 7.9 m95 -80.62 105.87 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.25 -97.45 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -155.59 131.0 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -89.71 157.34 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.43 170.01 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 3.2 mm? -126.86 160.91 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' LYS . 81.1 t -154.32 115.82 2.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.28 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -90.87 -26.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' TYR . . . 167.75 74.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' GLY . 40.0 m-85 37.98 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.99 -83.25 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.2 mt -92.21 161.79 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -136.68 168.36 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' VAL . 4.1 mttt -94.28 130.52 40.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.83 77.45 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 3.2 tt0 -104.75 145.08 30.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.471 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -149.15 155.43 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.82 144.12 50.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.531 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -146.2 161.62 39.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 91' ' ' ILE . 10.0 t -119.92 76.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 64' ' ' VAL . 1.8 m -84.63 175.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.7 mm-40 -85.41 157.75 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 -0.04 57.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -141.62 24.78 2.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.88 -77.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 59' ' ' VAL . 1.9 t -85.6 150.2 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.44 11.57 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.067 . . . . 0.0 110.97 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.5 m 66.76 39.34 3.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 110.433 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -103.95 -57.21 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -41.66 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 ' CD2' HG23 ' A' ' 31' ' ' ILE . 72.4 mt -59.3 -37.82 78.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' THR . 20.7 tt0 -65.91 -55.54 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 21.4 mt-10 -58.39 -14.97 8.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -46.05 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.431 ' CG1' ' CD1' ' A' ' 31' ' ' ILE . 16.6 mt -73.35 -55.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.462 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 11.8 p -71.46 -7.35 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -56.62 -21.02 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.393 1.058 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -96.3 85.16 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.37 -4.54 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.452 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -93.44 8.58 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 43.7 m-85 -144.19 -44.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.406 ' CG1' HG11 ' A' ' 12' ' ' VAL . 56.0 t -85.69 130.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.567 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -84.89 -35.7 22.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m 173.68 118.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.462 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 4.1 ttt -86.19 151.84 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 83' ' ' MET . 42.5 m-20 -147.26 -175.76 4.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.65 127.54 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -85.89 -18.24 33.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 86' ' ' ALA . . . 168.24 161.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -143.29 90.18 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -153.58 -179.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 6.0 ttpp -90.91 163.64 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.523 HD12 ' CB ' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.695 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' HG23 ' A' ' 91' ' ' ILE . 30.2 t -146.42 166.49 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.536 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -114.52 124.4 51.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mm -124.43 108.85 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -93.32 126.46 38.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 10.5 mp -106.44 149.96 26.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.92 93.33 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.432 ' CG1' HG12 ' A' ' 80' ' ' VAL . 55.0 t -94.49 156.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -120.64 130.94 24.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.95 143.2 28.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -54.74 -32.81 60.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.3 175.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -30.3 3.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.34 -40.75 82.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.488 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 4.9 m -56.38 96.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.04 112.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' HD21 ' A' ' 53' ' ' LEU . 53.3 mmm -70.81 -29.04 65.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.61 -35.75 79.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -44.66 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' CD1' ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -62.54 -38.36 89.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.22 -35.21 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -75.58 -56.27 4.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 t -43.73 -53.05 6.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.55 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 11.6 t -51.32 -40.0 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -73.0 -41.68 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -50.14 -29.97 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.452 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 73.1 mt -58.43 127.96 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.84 123.07 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.18 156.99 47.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.75 125.98 25.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.04 32.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.057 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.41 ' CD2' HD22 ' A' ' 69' ' ' LEU . 7.9 tp -91.25 134.38 34.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -140.44 142.08 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 69.0 m95 -90.27 -174.72 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.38 -77.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.94 129.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.9 p -87.91 165.96 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -128.6 158.31 38.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -122.25 151.32 41.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.7 t -151.75 100.33 2.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HB3' ' CE ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.99 141.8 27.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -88.81 -62.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.31 -93.39 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.566 1.167 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -155.77 87.66 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.79 -49.09 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.6 mp -103.29 161.74 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 45' ' ' PRO . 7.4 mttt -150.74 165.87 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -84.77 155.21 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -116.05 61.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -88.23 137.78 32.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -144.7 145.57 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 57' ' ' CYS . 30.4 tp60 -114.93 142.83 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 7.6 p -136.76 177.46 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.8 t -134.73 84.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.3 175.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 63' ' ' LYS . 3.0 mm-40 -83.95 170.16 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -134.37 24.34 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.16 -46.79 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 55.1 t -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.92 174.18 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.1 m -75.82 51.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 0.722 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 2.3 tmm? -71.39 -47.1 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 36' ' ' LEU . 1.6 mt -54.28 -42.7 70.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CE ' ' A' ' 83' ' ' MET . 4.4 tt0 -59.15 -55.11 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 8.8 mt-10 -63.77 -9.78 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 68' ' ' MET . 5.5 mm-40 -97.92 -47.73 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.14 -53.08 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 18.3 p -74.29 -2.55 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -65.16 -11.7 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.91 92.68 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.7 mt-10 -83.28 -5.77 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.544 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -99.66 19.9 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 25.2 m-85 -154.68 -43.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.432 HG12 ' CG1' ' A' ' 12' ' ' VAL . 77.1 t -85.64 128.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 7.3 tt0 -84.72 -36.14 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.5 p 174.56 111.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 4.6 ttt -81.25 149.99 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 2.0 m-20 -152.3 -174.35 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.1 136.52 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.25 -26.48 18.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.18 164.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.11 98.47 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -154.3 172.18 18.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -78.3 172.74 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.536 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 1.1 tt . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.739 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 60' ' ' GLU . 7.1 mtmm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.458 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 13.2 t -135.6 170.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.501 ' CB ' HD11 ' A' ' 91' ' ' ILE . 10.3 t -130.69 128.51 41.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.055 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.1 mm -118.86 115.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD22 ' CD ' ' A' ' 54' ' ' GLN . 19.6 tp -92.02 106.05 18.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 66' ' ' THR . 10.5 mp -92.1 146.56 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -124.48 93.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' CG1' ' A' ' 80' ' ' VAL . 59.5 t -91.57 149.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 tptt -113.64 132.92 22.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.02 146.64 32.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.589 1.836 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -56.94 -27.58 61.21 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.49 -171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -23.47 63.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.31 -39.43 89.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.527 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 4.1 m -62.44 97.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.75 154.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -38.36 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -62.0 2.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.71 -57.43 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' CD1' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER -48.06 -53.0 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -61.16 -57.77 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.7 mm-40 -50.86 -56.78 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -38.07 -68.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 108.338 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.596 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 40.2 t -39.35 -45.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 ttp180 -65.95 -51.45 58.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -38.65 -50.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 3.0 mt -39.49 122.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -130.02 146.61 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -161.33 143.93 12.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.53 -54.92 22.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.29 28.35 6.29 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 HD22 ' CD2' ' A' ' 69' ' ' LEU . 9.5 tp -132.2 130.68 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.9 t -128.85 139.98 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 11.9 m95 -105.03 112.74 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -78.79 0.63 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.8 p -176.67 131.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.943 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 79.5 p -86.47 159.94 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -131.3 158.68 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 3.8 mm? -121.49 148.4 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 95.2 t -155.46 111.26 2.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 134.1 17.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.8 -47.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.03 155.36 47.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -39.19 -50.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 0.741 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.88 24.79 3.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 14' ' ' PRO . 4.3 mp -115.72 162.67 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.8 mttt -130.03 165.9 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 1.2 ttpt -84.6 146.59 27.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -105.37 60.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' CD ' HD22 ' A' ' 9' ' ' LEU . 1.4 tt0 -86.37 138.26 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.455 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -146.77 146.75 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.485 ' NE2' ' HG ' ' A' ' 7' ' ' SER . 4.1 tp-100 -116.69 141.98 47.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.9 p -134.77 169.57 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.3 t -133.26 80.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.1 m -84.11 176.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -81.72 -178.98 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 -50.7 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -139.34 25.41 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -33.75 6.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -149.04 131.48 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . . . -123.14 179.85 16.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.464 ' CG2' HD22 ' A' ' 10' ' ' LEU . 88.0 m -76.33 53.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -112.82 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -49.68 -39.83 37.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' CD2' HD22 ' A' ' 36' ' ' LEU . 11.0 mt -61.24 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 74' ' ' THR . 21.4 tt0 -46.06 -57.49 4.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -49.41 -20.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 70' ' ' GLU . 1.1 tt0 -98.83 -48.14 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 69' ' ' LEU . 8.0 mm -64.98 -57.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 70' ' ' GLU . 51.6 p -69.42 -17.69 63.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -47.69 -27.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -93.32 97.19 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -86.92 -5.48 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.01 22.08 10.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 20.7 m-85 -154.99 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.451 ' CG1' HG12 ' A' ' 12' ' ' VAL . 55.6 t -84.74 127.45 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 13.1 tt0 -84.69 -32.71 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 p 172.18 112.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.453 ' CE ' ' HG3' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -84.92 151.12 24.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.67 -172.73 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.3 t -112.31 133.4 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.43 -28.95 16.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.71 149.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.66 97.7 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -153.14 168.97 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 7.6 ttpp -77.16 163.91 26.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.501 HD11 ' CB ' ' A' ' 7' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.763 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 60' ' ' GLU . 20.7 mmtt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.453 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 33.3 t -154.82 166.31 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.548 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -115.1 130.38 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.451 HD13 ' CG2' ' A' ' 59' ' ' VAL . 8.1 mt -137.88 119.58 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 16.9 tp -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 HD23 ' CE ' ' A' ' 83' ' ' MET . 4.4 mt -121.28 146.66 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.54 105.65 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 80' ' ' VAL . 18.7 t -92.84 147.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.64 127.68 26.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.97 134.38 17.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 12.8 m95 -48.57 -30.29 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 18' ' ' GLU . 4.2 m-20 177.3 166.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -27.23 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 16' ' ' ASP . 20.4 pt-20 -57.94 -37.29 73.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -57.58 102.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.33 102.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 76.0 mmm -61.55 -34.74 76.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.32 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -45.7 49.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -40.05 88.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.26 -45.82 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -65.05 -52.9 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 48.3 t -40.89 -63.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG11 ' CH2' ' A' ' 38' ' ' TRP . 2.2 t -39.79 -47.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.05 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -44.1 -28.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 29.6 mm -56.73 121.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -112.52 133.61 54.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 120.04 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.31 -49.09 9.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.93 33.48 3.99 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD22 ' CE2' ' A' ' 38' ' ' TRP . 12.4 tp -132.91 124.88 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 0.733 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.417 HG22 ' NZ ' ' A' ' 5' ' ' LYS . 74.3 t -117.12 104.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 11.6 m95 -79.18 108.1 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.62 -108.65 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.47 131.48 36.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 0.711 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.2 p -90.57 155.03 19.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.051 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.67 154.72 36.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -120.87 153.76 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' LYS . 86.2 t -152.71 120.87 3.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 139.6 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.2 t -148.61 58.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.063 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.43 112.72 2.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -37.22 106.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.37 -41.51 2.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 4.3 mt -94.39 161.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -155.41 162.83 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -86.17 148.19 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.08 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.8 tt0 -104.92 141.13 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -144.71 159.43 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -135.18 141.47 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.588 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 8.4 p -148.0 -180.0 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.214 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 5' ' ' LYS . 99.0 t -131.06 104.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 8' ' ' ILE . 4.0 m -84.46 173.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -92.12 74.4 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 t70 57.7 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 60' ' ' GLU . 8.6 t0 -135.98 25.38 3.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.15 -53.71 5.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.04 98.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 165.16 43.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.486 ' CG2' ' HE2' ' A' ' 83' ' ' MET . 1.2 m -75.27 -20.34 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.443 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -46.09 -51.69 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -42.27 94.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 11.9 mt -61.99 -40.24 94.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.472 ' O ' ' OG1' ' A' ' 74' ' ' THR . 29.1 tt0 -74.91 -25.33 58.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -16.31 61.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.438 ' CA ' ' HB1' ' A' ' 75' ' ' ALA . 6.1 pt20 -116.37 -47.42 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 89.7 mt -56.72 -83.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 38.4 p -54.07 -18.44 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB1' ' CA ' ' A' ' 72' ' ' GLN . . . -40.24 -29.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' THR . 1.4 m-85 -87.38 79.46 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 2.9 tt0 -70.35 -4.97 24.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -90.18 13.91 13.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 42.1 m-85 -155.44 -42.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG12 ' CG1' ' A' ' 12' ' ' VAL . 24.1 t -84.02 129.48 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 18.8 tt0 -86.69 -37.02 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m 167.3 119.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.486 ' HE2' ' CG2' ' A' ' 66' ' ' THR . 51.8 ttp -81.04 151.9 28.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 151.59 44.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 88' ' ' PHE . 4.2 p -89.62 124.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 -22.96 27.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.18 162.08 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD2' HG23 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -149.79 87.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -155.09 -178.82 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.79 167.2 22.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.548 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.782 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.826 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -155.28 171.31 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.519 ' CB ' HD11 ' A' ' 91' ' ' ILE . 3.2 t -127.88 145.14 51.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.534 HG22 ' CE1' ' A' ' 88' ' ' PHE . 4.2 mp -132.99 123.55 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 16.3 tp -92.85 100.84 13.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.453 ' CD2' HG22 ' A' ' 66' ' ' THR . 7.8 mp -84.53 148.8 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -131.47 102.26 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' HG11 ' A' ' 80' ' ' VAL . 39.7 t -101.54 151.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.3 tttt -113.78 131.99 22.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.98 155.4 43.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -67.43 -22.6 65.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.34 170.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -27.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 23.5 pt-20 -59.04 -48.95 79.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.463 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 4.0 m -43.92 102.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.69 105.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 mtt -67.67 -22.62 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.62 55.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -45.62 33.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.52 -40.77 88.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 3.5 tt0 -75.22 -31.42 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -63.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -41.81 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.56 HG11 ' CH2' ' A' ' 38' ' ' TRP . 2.1 t -40.25 -47.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -41.7 79.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.7 p -52.5 -35.7 53.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 97.1 mt -50.31 126.77 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.51 157.25 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.18 131.05 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.06 64.28 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' HG13 ' A' ' 59' ' ' VAL . 5.7 tp -101.36 124.66 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.14 134.21 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CH2' HG11 ' A' ' 28' ' ' VAL . 76.0 m95 -102.49 82.55 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.031 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -43.61 -53.94 5.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.452 1.095 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER 160.98 135.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.502 ' OG ' ' CG ' ' A' ' 25' ' ' GLU . 77.5 p -85.24 167.02 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -137.7 165.13 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 1.4 mm? -122.93 152.23 41.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 84.4 t -154.25 99.63 2.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.45 25.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -102.47 -41.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.37 -128.99 2.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -130.06 88.01 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.95 -53.75 0.55 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.19 159.11 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -147.12 168.79 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.69 126.73 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.32 72.6 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 42' ' ' LYS . 2.4 mt-30 -96.88 137.11 36.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.446 HD11 ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -136.77 161.42 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 58.5 tt0 -129.32 145.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 p -142.43 176.61 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.6 t -134.96 74.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' CG2' HD12 ' A' ' 8' ' ' ILE . 33.2 m -85.56 175.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -84.44 171.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.31 4.47 15.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 18.3 t0 -155.88 25.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -125.73 -76.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.21 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.6 p -119.15 177.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.68 178.76 18.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 HG22 ' CD2' ' A' ' 10' ' ' LEU . 3.2 m -74.17 -22.27 59.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -38.0 -56.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 36' ' ' LEU . 11.3 mt -46.74 -65.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -45.09 -57.78 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.65 -24.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.44 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 7.4 tt0 -95.33 -40.39 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.1 mt -71.1 -67.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 76' ' ' PHE . 2.9 t -58.59 -23.77 59.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -39.44 -30.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.78 69.75 9.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.65 -13.71 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.39 14.87 5.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.478 ' CD2' ' CD1' ' A' ' 76' ' ' PHE . 95.3 m-85 -151.77 -41.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG11 ' CG1' ' A' ' 12' ' ' VAL . 61.1 t -83.44 128.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -86.48 -31.17 21.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 81' ' ' GLN . 2.3 m 169.61 112.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.16 152.46 32.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.09 -173.17 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.84 134.26 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -93.36 -35.34 13.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.072 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.25 -177.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.534 ' CE1' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -154.68 110.85 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -138.05 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.85 136.57 38.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.826 ' H ' ' HA ' ' A' ' 6' ' ' SER . 5.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.705 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 4.9 mmtp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.716 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 32.2 t -155.37 163.58 39.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.498 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 1.4 t -118.91 101.49 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.553 HG22 ' CZ ' ' A' ' 88' ' ' PHE . 8.6 mm -86.31 107.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -96.05 117.73 31.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 10.3 mp -109.19 149.23 29.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.88 91.93 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 t -88.75 148.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 128.11 25.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 142.96 28.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.423 1.749 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -48.02 -34.08 8.9 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.63 -176.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -18.13 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -71.84 -32.64 67.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -64.06 105.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 110.6 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.3 mmm -72.99 -29.38 63.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.188 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.84 80.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -73.02 -49.92 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -39.99 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -68.15 -63.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.6 mm-40 -54.36 -52.26 62.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 41.6 t -43.71 -58.46 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -48.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -27.79 69.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.4 p -66.93 -9.33 37.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.922 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.433 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 18.3 mm -73.53 128.89 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.03 151.01 34.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -171.95 147.67 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.52 150.33 46.93 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.4 16.72 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' CD1' ' CG1' ' A' ' 59' ' ' VAL . 0.5 OUTLIER -102.41 138.36 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -138.73 97.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.603 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 12.9 m95 -65.17 102.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.042 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.82 -68.28 1.68 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.72 148.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 p -98.41 158.3 15.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.24 160.59 27.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 2.2 mm? -119.9 155.22 33.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 93.1 t -154.04 101.05 2.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.62 22.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.76 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.5 t -84.48 -85.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.66 -46.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -157.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.22 13.84 56.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mp -102.88 158.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 9.1 mtpt -137.82 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -87.92 143.69 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.63 75.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.3 tt0 -97.49 142.89 28.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -147.89 152.44 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.4 tt0 -132.09 139.64 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.603 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -129.86 -170.77 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' SER . 57.1 t -153.5 73.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.44 ' CG1' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.17 174.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HB2' ' CD ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -82.06 172.76 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.34 8.76 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.69 25.83 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' CD ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -113.15 -89.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 69' ' ' LEU . 21.6 t -109.4 148.24 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.421 ' N ' HG11 ' A' ' 64' ' ' VAL . . . -111.96 -82.59 1.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.105 . . . . 0.0 111.075 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -170.86 -40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.813 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.22 -57.49 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -57.02 -60.26 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 64' ' ' VAL . 72.1 mt -50.29 -32.02 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' THR . 24.1 tt0 -72.37 -57.24 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -57.12 -16.64 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.7 tt0 -99.4 -43.32 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 63.8 mt -75.32 -60.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.47 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 15.8 p -67.17 -13.49 62.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -45.74 -26.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -89.04 79.0 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.05 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.96 -5.47 31.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.42 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 4.1 t70 -94.63 10.32 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 59.6 m-85 -145.31 -44.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.5 t -84.35 125.94 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.1 tt0 -84.91 -38.7 19.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.054 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.7 p -179.85 128.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.47 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 6.1 ttt -104.56 154.06 20.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 83' ' ' MET . 1.6 m-20 -147.09 -175.24 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.61 124.69 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 87' ' ' ALA . . . -84.9 -25.78 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 86' ' ' ALA . . . 164.9 161.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -143.41 85.0 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -129.4 169.18 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 136.9 34.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.716 ' H ' ' HA ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.777 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.51 ' CA ' HG23 ' A' ' 91' ' ' ILE . 22.3 t -155.67 165.74 35.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.486 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 1.0 OUTLIER -119.93 142.46 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.046 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 59' ' ' VAL . 4.7 mp -139.91 116.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.423 ' HG ' ' NE2' ' A' ' 54' ' ' GLN . 22.6 tp -87.27 117.63 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 6.5 mp -99.86 153.47 19.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.68 94.75 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -85.17 147.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 122.32 34.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.02 133.65 16.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.428 1.751 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 27.9 m95 -43.11 -39.29 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.6 177.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -29.19 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.12 -43.12 73.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 14' ' ' PRO . 1.2 m -56.63 99.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 142.43 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.448 ' CE ' ' HG3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -100.48 -9.74 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.68 -30.5 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -86.74 -47.9 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -37.99 75.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.1 -36.56 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.3 tt0 -72.58 -59.12 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLU . 20.8 t -41.64 -64.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.592 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 2.4 t -40.11 -39.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -75.44 -54.09 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ILE . 86.0 p -38.46 -46.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.504 ' CG2' ' CD2' ' A' ' 69' ' ' LEU . 87.0 mt -39.96 127.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.77 150.88 50.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -164.18 146.59 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.27 -52.91 63.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.53 26.14 8.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -121.75 124.51 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.374 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.77 99.66 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.621 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m95 -66.02 140.31 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 107.985 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.05 -94.79 2.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.54 134.76 15.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.067 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -97.83 157.76 15.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -134.76 163.84 28.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 2.9 mm? -121.49 159.59 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 53.1 t -155.23 99.0 2.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.86 -32.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.14 -61.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 175.25 -34.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.55 -58.24 2.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.1 mp -92.82 161.11 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 19.9 mtmt -148.72 160.24 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.59 143.89 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 73.74 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' NE2' ' HG ' ' A' ' 9' ' ' LEU . 3.2 tt0 -100.93 141.42 33.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.482 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -150.09 157.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -121.76 142.76 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.621 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -132.31 -171.73 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 108.216 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.9 t -151.23 78.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 8' ' ' ILE . 2.7 m -84.51 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -84.32 173.38 11.0 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.62 3.95 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -160.42 26.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -132.33 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG1' ' OD1' ' A' ' 67' ' ' ASP . 96.9 t -129.61 141.79 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' HG11 ' A' ' 64' ' ' VAL . . . -145.31 87.27 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' GLY . 41.0 m 35.09 42.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.757 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.449 ' OD1' ' CG1' ' A' ' 64' ' ' VAL . 3.1 p-10 -101.03 -60.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.6 ttp -68.96 -47.52 65.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.504 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 21.0 mt -51.91 -31.83 30.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -73.0 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -59.97 -11.15 5.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -102.2 -52.48 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 45.5 mt -67.82 -50.75 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.447 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 3.2 p -78.2 4.65 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -73.7 -7.99 54.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.51 79.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -4.99 39.09 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.73 17.84 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -155.03 -43.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.53 131.07 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 20.5 tt0 -84.95 -36.08 21.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 p 172.89 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.465 ' HG2' ' N ' ' A' ' 84' ' ' ASP . 6.4 ttp -79.98 149.23 30.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 83' ' ' MET . 3.7 m-20 -143.98 -175.67 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.22 126.13 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 -20.49 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.44 165.59 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.89 88.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -142.93 172.44 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.598 ' HG3' ' H ' ' A' ' 91' ' ' ILE . 11.9 tttt -74.95 164.42 26.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.598 ' H ' ' HG3' ' A' ' 90' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.793 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 12.1 mmtp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 128.82 12.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.516 ' OG ' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.92 95.88 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.586 HG12 ' CD1' ' A' ' 88' ' ' PHE . 2.7 mp -84.82 142.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 43.4 tp -117.03 99.56 7.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -89.42 129.83 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -103.18 97.28 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 80' ' ' VAL . 60.1 t -84.95 151.1 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 127.12 25.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 144.35 29.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 4.7 m95 -58.14 -27.84 64.14 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -178.47 -176.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -21.29 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -23.59 66.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.487 ' CG2' HD13 ' A' ' 24' ' ' LEU . 2.5 m -66.37 109.74 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.88 95.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 28.5 mmm -62.41 -30.38 71.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.09 79.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.42 20.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -56.13 -41.3 75.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.27 -47.58 49.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -61.72 -61.24 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -47.37 -47.82 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.3 t -44.66 -44.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -44.05 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -49.17 -24.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 HG23 ' CD2' ' A' ' 69' ' ' LEU . 56.6 mt -54.86 128.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 138.79 47.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.78 155.52 25.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 132.7 50.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.51 8.17 59.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.14 116.94 33.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 135.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.504 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 24.7 m95 -94.16 121.22 35.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.0 -91.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.98 130.34 11.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.4 p -88.5 161.61 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.73 154.97 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -124.15 148.61 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' LYS . 1.8 t -151.3 134.98 9.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 138.63 23.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 t -154.4 126.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.9 -147.4 29.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 107.29 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.13 -0.13 84.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mt -102.42 162.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -144.96 168.32 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -93.46 135.66 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -102.74 68.63 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.243 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.454 ' CG ' HD13 ' A' ' 9' ' ' LEU . 12.6 tt0 -97.1 140.63 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.439 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -150.56 152.05 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.45 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 33.4 tt0 -116.94 141.73 47.85 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 1.063 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.504 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -116.63 -166.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -151.39 59.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -83.98 163.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -81.94 4.76 21.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.55 25.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 -92.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 65' ' ' GLY . 71.8 t -108.58 165.62 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' CG1' ' A' ' 64' ' ' VAL . . . -135.04 -162.08 9.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.474 ' CG2' ' HE2' ' A' ' 83' ' ' MET . 0.9 OUTLIER -74.97 -30.67 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -39.18 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -39.35 -56.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' CD2' HG23 ' A' ' 31' ' ' ILE . 25.7 mt -49.83 -58.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' HB2' ' CE ' ' A' ' 83' ' ' MET . 53.4 tt0 -50.71 -52.18 42.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -9.78 27.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.6 tt0 -97.83 -50.97 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.79 -63.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.434 ' C ' ' N ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -54.81 -23.87 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.06 82.09 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 5.2 mm-40 -69.89 -9.57 55.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.22 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.37 10.13 23.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -147.62 -41.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG12 ' CG1' ' A' ' 12' ' ' VAL . 61.7 t -83.37 127.9 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 27.3 tt0 -84.84 -35.01 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 p 168.57 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.474 ' HE2' ' CG2' ' A' ' 66' ' ' THR . 24.0 ttp -77.11 150.72 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 83' ' ' MET . 0.8 OUTLIER -142.42 -174.97 4.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.634 1.209 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.37 137.86 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.203 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -110.7 -20.44 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -176.29 145.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.586 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -155.46 85.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -155.73 -177.54 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 140.82 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.516 ' CD1' ' OG ' ' A' ' 7' ' ' SER . 34.6 mt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.778 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.502 ' CA ' HG23 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -157.39 172.19 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.542 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -117.04 147.37 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 10' ' ' LEU . 3.1 mp -144.93 129.08 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.7 tp -102.95 111.21 23.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' A' ' 8' ' ' ILE . 5.4 mp -101.54 141.49 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.76 107.91 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 83' ' ' MET . 0.1 OUTLIER -108.13 129.34 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.9 tttt -88.89 137.54 29.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.92 143.14 28.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -54.53 -21.88 11.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER 163.09 166.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' A' ' 16' ' ' ASP . 0.5 OUTLIER -40.83 -31.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' ASP . 11.4 pt-20 -56.98 -51.0 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.52 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 2.0 m -39.98 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.24 99.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.427 ' CE ' HD21 ' A' ' 53' ' ' LEU . 15.4 mtp -66.13 -18.36 65.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.59 50.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -37.04 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.52 ' CD1' ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -67.38 -41.12 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -52.2 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -58.31 -55.72 31.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.7 t -48.39 -53.54 17.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -48.01 -38.12 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -34.98 62.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 p -69.23 -26.94 65.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 22.1 mm -44.5 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.061 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 139.83 51.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.79 167.47 28.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -76.74 140.26 40.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.22 16.88 36.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.051 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.1 tp -93.88 142.29 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.757 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.53 114.45 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 17.8 m95 -84.29 123.0 29.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 107.996 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 -80.9 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -164.72 134.85 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -91.54 155.1 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 153.5 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -114.67 160.69 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -153.72 100.43 2.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.47 23.04 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.35 -70.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 48' ' ' TYR . . . -173.92 174.82 46.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 2.5 t80 68.61 -63.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.784 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.04 40.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 12.6 mt -129.58 157.16 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -138.28 169.45 17.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 125.51 37.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.427 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -85.01 63.34 8.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.69 137.07 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.29 156.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 7.2 tm0? -122.82 144.03 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 1.067 . . . . 0.0 110.39 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.579 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -147.19 155.18 41.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 91' ' ' ILE . 21.7 t -108.83 77.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 69' ' ' LEU . 2.2 m -84.03 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -84.27 172.61 11.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.3 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.57 5.15 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.428 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 5.0 t70 -91.02 -67.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.86 -24.45 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 60' ' ' GLU . 21.7 t -83.97 151.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.42 ' N ' HG11 ' A' ' 64' ' ' VAL . . . -161.51 170.56 37.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.956 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -72.92 -26.14 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -72.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -65.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD1' HG13 ' A' ' 59' ' ' VAL . 41.1 mt -44.51 -47.17 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.479 ' CG ' HG22 ' A' ' 74' ' ' THR . 14.8 tt0 -61.41 -50.34 73.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 1.5 mm-40 -59.06 -14.3 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 2.1 tt0 -101.26 -49.25 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.84 -56.46 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.479 HG22 ' CG ' ' A' ' 70' ' ' GLU . 9.6 p -72.22 -6.19 41.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -60.12 -20.31 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.0 85.3 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 8.8 mt-10 -79.71 -4.21 50.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.68 12.63 24.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -149.34 -43.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG12 ' CG1' ' A' ' 12' ' ' VAL . 97.7 t -84.27 128.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.574 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.3 tt0 -84.55 -35.97 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -176.97 131.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.477 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 1.3 tmt? -104.36 151.83 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.92 -173.16 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.8 131.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.79 -20.53 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.79 161.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.68 89.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -143.87 -176.15 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' CD ' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.1 146.79 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.542 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.772 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 34.1 t -154.78 166.91 31.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.445 1.091 . . . . 0.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.515 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -114.56 147.1 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 88' ' ' PHE . 4.8 mp -145.0 101.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.411 ' N ' HE22 ' A' ' 56' ' ' GLN . 8.7 tp -85.99 131.89 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 9.6 mp -120.71 153.01 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.81 127.38 26.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG12 ' CG1' ' A' ' 80' ' ' VAL . 68.7 t -120.45 150.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 125.69 29.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.77 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 20.2 m95 -48.72 -35.5 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -167.23 -175.99 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -21.5 66.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.09 -37.52 85.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -49.93 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -46.12 128.11 9.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.426 ' CE ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -79.48 -32.75 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -62.2 -45.59 92.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -53.12 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -39.95 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -75.3 -40.13 58.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' ALA . 2.5 tt0 -67.45 -54.13 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 49.7 t -40.99 -56.42 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.589 HG11 ' CZ2' ' A' ' 38' ' ' TRP . 21.0 t -50.2 -68.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -44.85 -49.35 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -41.12 -31.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.449 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 44.6 mt -55.95 119.35 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.75 143.7 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -163.3 129.27 3.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -46.51 -47.92 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.67 24.56 14.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.409 1.068 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD1' HD22 ' A' ' 69' ' ' LEU . 2.0 tp -122.35 118.75 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -115.57 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CZ2' HG11 ' A' ' 28' ' ' VAL . 3.1 m95 -60.66 137.39 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.66 -117.91 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.614 1.197 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.9 p -129.92 131.27 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 p -89.89 159.86 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -127.01 154.02 45.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.17 155.45 31.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' LYS . 3.0 t -151.42 116.56 3.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 155.7 43.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.2 t -133.69 168.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 48' ' ' TYR . . . -60.27 168.86 8.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 68.73 -64.71 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 159.45 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.6 mt -114.32 163.66 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 5.0 mtpt -139.41 159.14 42.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 ttmt -93.39 148.38 22.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -108.63 69.61 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -93.23 139.33 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -146.1 160.24 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' NE2' ' C ' ' A' ' 8' ' ' ILE . 15.4 tp60 -126.65 141.72 51.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.587 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -133.76 160.18 38.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.287 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' SER . 48.6 t -124.84 108.93 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 8' ' ' ILE . 1.4 m -100.04 170.97 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.185 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' ASP . 4.2 mm-40 -84.23 72.11 10.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.28 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . 13.1 t70 -155.13 27.64 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 15.5 tttt -82.38 -57.08 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 36' ' ' LEU . 6.4 t -96.4 116.84 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.58 167.88 22.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 1.2 m -75.73 -0.51 21.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 0.792 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -59.07 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -59.97 -56.94 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 36' ' ' LEU . 1.4 mp -51.6 -50.67 59.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.471 ' CG ' HG22 ' A' ' 74' ' ' THR . 22.2 tt0 -56.14 -51.18 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -58.18 -15.84 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.69 -46.12 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.405 HG12 ' CG2' ' A' ' 28' ' ' VAL . 6.2 mt -69.6 -53.13 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 70' ' ' GLU . 15.1 p -75.11 -1.71 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -70.15 -12.22 61.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.3 95.55 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -87.83 -5.72 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 p-10 -95.15 16.05 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 43.8 m-85 -153.2 -44.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 12' ' ' VAL . 71.8 t -84.75 129.65 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.56 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 21.1 tt0 -84.93 -36.16 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m 174.46 115.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.452 ' CE ' HD22 ' A' ' 10' ' ' LEU . 1.1 tmt? -87.2 152.06 22.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -147.84 -173.68 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.85 143.96 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.92 -29.0 11.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 170.77 173.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.52 ' CE2' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -154.28 92.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -148.84 172.41 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 91' ' ' ILE . 18.5 tttm -82.34 165.23 20.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.515 HD12 ' CB ' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.763 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -138.32 102.45 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 38.99 61.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -132.33 173.14 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.479 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.1 t -155.42 166.71 32.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.551 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 1.2 t -123.96 128.58 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.419 ' CD1' HG23 ' A' ' 59' ' ' VAL . 6.3 mt -133.55 116.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -94.37 130.57 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -113.87 157.36 22.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.96 123.37 13.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.6 t -127.81 148.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -108.69 131.37 21.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.21 34.94 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.587 1.835 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -54.86 -34.8 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -179.6 179.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -25.84 50.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.41 -38.2 79.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.433 ' CG2' HD13 ' A' ' 24' ' ' LEU . 4.0 m -52.74 102.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.17 102.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -63.49 -34.43 77.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.28 79.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -44.9 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.96 -44.84 96.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.68 -34.43 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 tt0 -75.51 -61.21 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 43.0 t -40.98 -53.81 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 55' ' ' ILE . 49.1 t -45.63 -45.9 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -70.86 -53.16 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 p -38.76 -47.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 77.7 mt -41.86 131.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.13 151.74 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.15 167.47 27.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.56 125.72 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.48 10.51 70.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 7.7 tt -94.93 122.16 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.3 t -113.46 133.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.577 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m95 -104.17 118.11 35.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.05 -147.99 23.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -95.86 141.91 28.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 0.708 . . . . 0.0 109.964 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.5 p -96.72 163.93 12.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -127.9 159.67 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -125.1 147.67 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 t -143.71 103.58 4.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.62 21.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.95 -16.54 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.45 55.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.49 164.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.769 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 -59.33 1.69 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.44 158.58 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -151.9 164.71 36.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.86 146.12 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.45 66.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -90.9 137.79 32.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.466 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.72 153.2 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 57' ' ' CYS . 49.3 tp60 -115.83 144.33 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.577 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.1 p -137.05 161.21 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.411 ' CG2' ' CD1' ' A' ' 91' ' ' ILE . 52.4 t -127.65 95.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 64' ' ' VAL . 16.0 m -84.82 169.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -91.32 78.27 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 62.77 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -142.07 26.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -56.77 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 45.6 t -98.49 112.16 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.88 161.7 22.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -75.44 -21.24 58.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.417 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.15 -53.66 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -64.96 -54.88 23.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 5.8 mt -49.47 -44.44 45.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' CG ' HG22 ' A' ' 74' ' ' THR . 16.0 tt0 -62.13 -53.88 49.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 33.8 mt-10 -59.11 -13.59 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -99.62 -47.35 5.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -72.95 -53.62 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.46 HG22 ' CG ' ' A' ' 70' ' ' GLU . 6.3 p -75.29 -0.65 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -63.22 -14.9 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.88 91.63 4.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -74.74 -4.81 39.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.474 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 t70 -99.0 17.71 19.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 76.8 m-85 -151.19 -45.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.3 t -84.27 123.17 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 5.5 tt0 -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -178.69 112.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.44 ' CB ' HG23 ' A' ' 74' ' ' THR . 0.5 OUTLIER -82.63 152.19 25.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.921 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.01 -174.6 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.58 139.42 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.0 -25.4 14.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.402 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 171.86 173.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.12 97.19 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -153.23 -178.41 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -75.06 170.31 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.551 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 4.5 tt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.61 75.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.53 174.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 70.1 83.37 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' CD ' ' HG3' ' A' ' 60' ' ' GLU . 2.4 mmmm -106.5 171.24 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' HG23 ' A' ' 91' ' ' ILE . 30.4 t -153.05 170.86 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.51 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 26.4 t -130.47 151.1 51.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 88' ' ' PHE . 3.7 mp -138.03 120.42 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD23 ' NE2' ' A' ' 54' ' ' GLN . 15.8 tp -90.52 116.45 28.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 66' ' ' THR . 0.7 OUTLIER -94.95 163.45 13.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -150.12 89.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG1' HG12 ' A' ' 80' ' ' VAL . 75.1 t -94.08 155.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -115.15 136.12 22.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 151.99 40.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -62.29 -24.77 67.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.09 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -15.35 42.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.59 -34.26 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.404 ' CG2' HD13 ' A' ' 24' ' ' LEU . 2.3 m -67.23 88.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -40.1 122.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 49.9 mmm -76.55 -30.59 57.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.72 81.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -66.67 -51.2 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -53.15 -41.08 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.19 -59.62 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.49 -54.97 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' SER . 12.2 t -42.13 -58.42 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -43.39 -52.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -32.42 73.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.3 p -64.65 -24.68 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 mm -65.72 129.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -124.0 164.64 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.15 158.35 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.12 147.87 52.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.61 21.48 4.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.2 127.27 52.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -129.77 114.3 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 23.3 m95 -72.81 -176.9 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.6 -97.91 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.4 m -154.43 133.86 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 109.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.5 p -92.69 158.78 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.32 158.81 33.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.38 154.28 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 t -152.7 104.07 2.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 136.14 20.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.62 -74.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.16 154.83 26.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.5 -161.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 0.812 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 49.45 4.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.7 mt -126.89 160.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.408 0.71 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 1.9 mptt -151.05 166.89 29.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -87.25 129.49 34.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.17 68.73 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.6 tt0 -94.47 141.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -146.01 160.57 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.1 tm0? -130.37 143.27 50.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 2.7 p -139.38 174.81 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.403 ' CG2' HD12 ' A' ' 91' ' ' ILE . 97.5 t -134.12 86.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.443 ' HB ' ' CG1' ' A' ' 64' ' ' VAL . 1.5 m -84.77 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 2.1 mp0 -83.05 -172.71 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.94 -57.59 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.36 24.77 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -38.99 7.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.443 ' CG1' ' HB ' ' A' ' 59' ' ' VAL . 53.4 t -140.3 147.77 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.76 -104.41 1.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 66' ' ' THR . 2.7 m -162.9 27.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.441 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.71 -43.47 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 ttp -75.38 -51.74 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 36' ' ' LEU . 74.7 mt -53.42 -29.51 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' O ' ' OG1' ' A' ' 74' ' ' THR . 27.6 tt0 -74.92 -57.43 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 5.3 pt-20 -58.31 -13.33 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -96.44 -45.6 6.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 13.5 mt -75.51 -53.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 19.6 p -70.16 -14.5 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -49.55 -25.64 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.91 84.92 5.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -4.64 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -151.8 -44.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG12 ' CG1' ' A' ' 12' ' ' VAL . 62.3 t -84.58 127.04 40.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.549 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.9 tt0 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -179.93 115.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -86.23 151.83 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.36 -173.7 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -108.15 144.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.55 -21.02 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 176.01 167.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.523 ' CD1' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -155.12 97.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' OG ' ' A' ' 6' ' ' SER . 43.2 m-80 -150.95 178.27 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 5.9 ttpm? -78.64 165.04 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.51 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.525 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.752 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.71 159.34 15.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -108.16 179.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 3' ' ' VAL . . . 84.5 123.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 7.2 mmtp -117.3 173.0 6.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.215 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.651 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.8 t -155.02 167.72 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.091 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 27.6 t -127.95 150.17 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.405 ' CD1' HG21 ' A' ' 59' ' ' VAL . 4.3 mp -137.77 119.13 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' NE2' ' A' ' 54' ' ' GLN . 12.6 tp -84.53 108.63 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 mp -84.84 150.86 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 97.06 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -100.9 156.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.52 128.34 24.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.75 19.56 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 2.0 m95 -44.37 -37.9 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -175.16 -171.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -25.8 68.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.08 -40.39 89.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 24' ' ' LEU . 31.2 m -50.56 101.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.74 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.408 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 6.6 mtp -56.47 -33.87 66.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.42 85.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -77.16 -50.07 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD1' HG23 ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.16 -36.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.03 -62.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 20.6 mm-40 -53.26 -51.75 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -43.98 -54.3 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.523 HG12 ' CH2' ' A' ' 38' ' ' TRP . 24.7 t -52.19 -39.06 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 23.1 mtt180 -70.71 -55.94 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 p -46.4 -40.82 12.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.479 HG23 ' CD2' ' A' ' 69' ' ' LEU . 62.4 mt -50.34 129.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -135.32 167.42 21.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.77 165.46 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.02 138.72 54.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.72 14.62 23.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' CD1' ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -101.2 130.61 47.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -129.85 126.04 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CH2' HG12 ' A' ' 28' ' ' VAL . 19.4 m95 -90.94 125.52 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.96 -142.39 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.157 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.32 126.65 52.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 55' ' ' ILE . 78.1 p -84.65 168.89 14.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -132.75 157.82 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 2.1 mm? -122.56 149.64 43.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 65.6 t -155.17 116.42 2.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 140.51 25.43 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.52 179.43 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.64 -122.51 1.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.8 p90 -145.58 104.75 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.54 -26.14 21.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.4 mp -87.14 162.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -139.48 166.33 24.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -92.56 141.15 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -103.28 71.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' NE2' HD23 ' A' ' 9' ' ' LEU . 1.5 tt0 -93.84 140.0 30.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -144.48 166.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -129.42 144.88 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.4 p -135.88 162.96 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.45 84.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . 2.9 m -84.72 175.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.52 -173.27 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.25 17.64 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.87 -62.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.1 p -134.9 146.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.44 -175.96 14.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 m -73.51 57.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.388 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -61.92 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.64 -42.5 95.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.479 ' CD2' HG23 ' A' ' 31' ' ' ILE . 14.1 mt -57.93 -44.0 86.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' O ' ' OG1' ' A' ' 74' ' ' THR . 21.3 tt0 -61.81 -57.55 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 2.2 mm-40 -57.53 -13.77 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 -48.46 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.7 mt -72.8 -53.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 11.0 p -72.97 -2.49 21.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -64.67 -13.0 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.72 89.8 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -4.74 56.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.2 t70 -96.34 14.18 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 49.0 m-85 -147.71 -44.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -84.86 131.56 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.558 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 3.3 tt0 -85.89 -34.66 20.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 173.43 114.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 83' ' ' MET . 1.1 tmt? -87.54 151.36 23.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -154.37 -172.91 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.6 p -107.56 139.98 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.2 -24.65 15.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 177.51 171.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.95 101.77 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -142.45 164.85 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 146.52 28.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.651 ' H ' ' HA ' ' A' ' 6' ' ' SER . 7.1 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.733 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.44 -174.89 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.8 172.89 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 76.06 111.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 5.9 mmtp -99.13 173.66 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.721 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -151.78 169.48 22.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.53 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -114.94 143.41 45.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' A' ' 88' ' ' PHE . 8.6 mm -142.12 115.19 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 18.0 tp -95.43 119.42 33.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 66' ' ' THR . 10.3 mp -102.0 151.62 21.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.46 101.54 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 3.6 t -99.37 142.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.61 122.75 39.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 139.93 24.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.7 m95 -42.72 -39.59 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 107.962 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.88 -170.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -22.59 67.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' THR . 8.6 pt-20 -62.2 -34.83 77.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 14' ' ' PRO . 1.0 OUTLIER -60.75 98.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.4 mmm -65.71 -45.82 81.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.42 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -48.5 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -59.25 -49.18 78.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.44 -57.34 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.21 -61.14 2.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' SER . 42.2 t -43.96 -54.36 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.3 t -41.93 -48.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.42 75.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' CYS . 5.8 p -56.78 -27.91 60.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 41.1 mm -52.66 121.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.78 144.12 44.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.77 162.02 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.29 143.47 50.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.18 21.32 11.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -109.5 129.21 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.81 128.16 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.508 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 32.9 m95 -93.97 112.91 24.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 108.06 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.46 -77.6 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 141.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 p -102.16 153.58 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 164.82 27.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -117.06 151.99 35.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.5 t -149.32 101.42 3.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 138.17 22.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.18 -62.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 48' ' ' TYR . . . -99.61 -60.51 0.85 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.1 -38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.03 -56.96 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.3 mp -85.94 163.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.24 161.08 38.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.09 137.72 32.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -96.21 81.3 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -107.58 138.67 43.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -151.1 145.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.391 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 60.0 tp60 -109.75 143.86 38.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -137.8 161.43 36.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.4 t -117.74 80.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 m -84.54 175.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -84.16 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 -46.78 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.51 26.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -96.05 -70.04 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.96 144.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.98 161.48 12.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 10' ' ' LEU . 1.3 m -75.07 -21.63 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.45 -56.1 3.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -40.32 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 ' CD2' HD23 ' A' ' 36' ' ' LEU . 24.4 mt -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.478 ' O ' ' CG2' ' A' ' 74' ' ' THR . 24.1 tt0 -66.67 -44.08 82.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.97 -1.44 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -110.69 -49.04 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -56.04 -24.75 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' THR . . . -39.53 -31.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -85.34 74.44 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -62.75 -13.33 31.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.06 7.97 16.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -145.84 -44.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.3 t -84.35 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.5 tt0 -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m 170.09 115.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -75.25 153.28 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.452 ' N ' ' SD ' ' A' ' 83' ' ' MET . 1.2 m-20 -148.32 -174.03 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.75 129.07 70.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.55 -31.46 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 179.84 170.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CE1' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -148.62 95.15 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -140.73 -177.89 5.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -90.3 147.81 23.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.721 ' H ' ' HA ' ' A' ' 6' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.759 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.645 ' HA ' ' HE1' ' A' ' 1' ' ' MET . 5.8 mmt . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 119.017 -0.516 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.25 179.92 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 0.7 OUTLIER -97.98 178.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 3' ' ' VAL . . . 80.8 84.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' CD ' ' HA ' ' A' ' 60' ' ' GLU . 1.1 mmtt -104.22 171.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' C ' HG23 ' A' ' 91' ' ' ILE . 9.5 t -151.42 168.91 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.045 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.528 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -111.67 137.18 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.4 HG13 ' CG1' ' A' ' 59' ' ' VAL . 5.5 mm -138.86 108.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 12.0 tp -92.36 138.44 31.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 4.5 tp -121.22 162.14 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -143.2 106.34 4.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -101.24 136.43 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 123.35 51.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 138.5 23.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -43.1 -37.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.64 -174.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -15.75 37.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.15 -31.04 60.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.454 ' CG2' HD13 ' A' ' 24' ' ' LEU . 1.3 m -62.92 108.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.9 154.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.46 ' CE ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -110.98 -36.25 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -70.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -61.22 2.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.6 OUTLIER -41.4 -45.47 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.56 -61.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 13.2 mm-40 -45.64 -53.18 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -56.02 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.436 1.085 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG11 ' CH2' ' A' ' 38' ' ' TRP . 61.4 t -46.93 -42.36 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 mtt85 -65.69 -50.63 64.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -38.84 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.481 ' CD1' ' CG1' ' A' ' 73' ' ' ILE . 2.1 mt -40.17 141.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' N ' HG21 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -153.08 148.64 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 36' ' ' LEU . . . -158.29 153.13 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -54.98 -55.53 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.98 16.14 44.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -119.91 126.02 49.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.373 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' VAL . 28.8 t -129.93 114.41 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 24.2 m95 -77.09 144.38 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 -100.02 1.85 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 132.82 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 0.705 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.3 p -88.69 170.61 10.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -135.22 156.63 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -119.47 154.17 34.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.2 t -151.89 113.02 2.92 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.232 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 138.59 23.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 47' ' ' GLY . 1.4 p -90.41 -155.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' ' CG1' ' A' ' 46' ' ' VAL . . . -122.43 74.16 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.94 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.38 -12.69 2.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -84.27 164.93 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.73 . . . . 0.0 109.351 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -131.74 158.97 39.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.7 152.87 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -115.69 68.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 5.9 mt-30 -95.47 148.91 21.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -152.0 158.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.421 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 37.0 tp60 -126.53 144.31 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 26.3 p -139.02 -172.52 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' VAL . 78.2 t -143.42 97.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' CG1' HG13 ' A' ' 8' ' ' ILE . 1.1 m -84.94 165.9 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -92.14 101.44 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.3 t0 53.75 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -151.91 24.44 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -37.93 18.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -109.94 135.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.66 176.53 20.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -76.41 47.57 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 110.398 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.28 -64.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -42.16 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -60.44 -47.06 87.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.478 ' CG ' HG22 ' A' ' 74' ' ' THR . 49.3 tt0 -56.19 -56.1 25.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 4.0 mm-40 -57.16 -16.02 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG2' ' CG1' ' A' ' 31' ' ' ILE . 1.7 tt0 -95.46 -46.73 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG1' ' CD1' ' A' ' 31' ' ' ILE . 56.1 mt -74.89 -59.01 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.478 HG22 ' CG ' ' A' ' 70' ' ' GLU . 15.6 p -66.76 -8.42 28.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -53.55 -20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.09 85.47 3.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -71.78 -4.6 28.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.09 19.1 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -153.73 -44.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.2 t -84.87 125.75 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -84.88 -38.06 19.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.8 m 179.98 118.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.465 ' CB ' HG23 ' A' ' 74' ' ' THR . 0.9 OUTLIER -90.63 150.88 21.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.077 . . . . 0.0 110.95 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.9 m-20 -153.84 -173.51 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.29 150.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.0 -22.77 13.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 171.57 176.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.42 98.31 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' OG ' ' A' ' 6' ' ' SER . 33.3 t30 -151.36 173.81 14.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -77.67 171.03 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.528 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.686 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mtt . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.49 89.99 5.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 9.9 p -151.41 165.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 3' ' ' VAL . . . 77.49 78.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 1.2 mmmm -87.21 174.58 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 59' ' ' VAL . 1.4 p -151.36 157.28 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.49 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 4.4 t -129.23 103.83 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.559 HG12 ' CD1' ' A' ' 88' ' ' PHE . 3.3 mp -91.09 141.41 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' N ' HG21 ' A' ' 8' ' ' ILE . 5.4 tp -114.44 106.18 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 10' ' ' LEU . 8.6 mp -87.38 153.84 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.96 100.07 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' CG1' HG11 ' A' ' 80' ' ' VAL . 20.2 t -105.95 145.62 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.55 136.46 20.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 155.87 43.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -65.08 -31.81 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.71 176.72 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -21.24 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.79 -41.13 83.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' MET . 2.0 m -47.68 106.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -51.41 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' THR . 1.1 mtt -59.41 -41.52 89.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -59.66 -43.94 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -67.99 -41.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -45.33 94.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.08 -32.8 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 2.2 tt0 -69.07 -58.96 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.18 -54.59 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.424 ' CG1' HG13 ' A' ' 55' ' ' ILE . 54.8 t -44.75 -73.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp180 -49.07 -28.88 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.5 ' CG2' ' CD2' ' A' ' 69' ' ' LEU . 33.0 mt -64.29 131.34 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.42 141.8 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.197 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -156.67 141.84 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.26 -54.96 20.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.25 28.3 6.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -124.6 133.42 53.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -138.13 108.39 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 109.388 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.608 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 36.3 m95 -74.0 129.64 38.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.11 -61.18 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.6 p -87.67 163.75 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.984 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -133.4 162.33 32.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -121.99 148.45 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' LYS . 2.5 t -144.82 101.76 4.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.5 31.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -96.41 -71.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.18 -79.95 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 85.7 t80 -171.6 82.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.75 -43.48 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.37 153.82 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.777 . . . . 0.0 109.269 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -137.55 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -85.43 125.52 33.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.08 70.58 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.487 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 3.5 mt-30 -96.24 148.82 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.487 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -153.9 148.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -122.85 146.42 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.608 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -132.73 -165.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.1 t -150.03 68.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 8' ' ' ILE . 3.8 m -84.51 174.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 1.3 mm-40 -84.75 171.89 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.73 5.05 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.96 25.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.05 -77.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.02 165.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.59 -178.54 17.23 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.1 m -75.53 56.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 0.821 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.41 -40.75 95.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 19.5 mt -57.74 -52.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' CG ' HG22 ' A' ' 74' ' ' THR . 25.5 tt0 -53.54 -56.4 17.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 3.4 mm-40 -59.0 -13.94 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -95.75 -46.49 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.81 -57.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.423 HG22 ' CG ' ' A' ' 70' ' ' GLU . 15.2 p -67.57 -8.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -56.53 -20.49 20.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -100.57 91.55 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -78.26 -4.84 49.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -96.67 15.53 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -148.69 -44.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.438 HG11 ' CG1' ' A' ' 12' ' ' VAL . 37.9 t -84.36 126.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 9.9 tt0 -84.63 -38.63 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p 179.35 106.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.41 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.7 OUTLIER -75.52 152.43 37.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -150.24 -173.35 4.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.25 134.98 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -96.57 -24.33 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 175.58 162.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -154.49 92.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -154.76 -177.85 6.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.67 149.99 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 7' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.764 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mtt . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -163.3 111.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 4' ' ' ALA . 88.2 t -153.06 168.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 3' ' ' VAL . . . 56.13 82.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.459 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -97.32 174.34 6.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.475 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.6 OUTLIER -153.77 169.53 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.547 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 35.6 t -142.39 148.53 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.553 HG22 ' CE2' ' A' ' 88' ' ' PHE . 1.8 mp -141.42 126.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.465 ' CD2' ' NE2' ' A' ' 54' ' ' GLN . 12.2 tp -95.12 137.66 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.33 160.21 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -147.27 97.59 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG1' HG11 ' A' ' 80' ' ' VAL . 58.6 t -102.0 150.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.78 139.5 21.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 160.91 39.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 3.1 m95 -74.33 -37.42 63.56 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.2 178.5 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.54 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.98 -34.11 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.9 -31.23 64.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.481 ' CG2' HD13 ' A' ' 24' ' ' LEU . 69.7 m -42.81 98.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 1.7 t0 -47.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.27 -33.36 73.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.083 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -68.97 -38.29 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -73.82 -52.44 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -53.96 -41.54 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.49 -43.76 54.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 22' ' ' ALA . 4.6 mm-40 -62.41 -59.16 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -58.68 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 108.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 55' ' ' ILE . 55.4 t -40.7 -50.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -48.33 69.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.05 -48.32 22.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 85.1 mt -40.82 130.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -137.52 146.03 43.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' N ' HD21 ' A' ' 36' ' ' LEU . . . -158.26 169.28 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.77 146.44 51.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.191 . . . . 0.0 109.24 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.79 21.41 4.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' CD2' HD23 ' A' ' 69' ' ' LEU . 42.3 tp -109.38 135.13 50.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.445 ' CG1' ' HB ' ' A' ' 58' ' ' VAL . 3.8 t -129.77 140.02 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 11.3 m95 -108.48 98.04 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.85 -115.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.4 134.61 36.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.6 p -87.73 169.94 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.66 150.82 44.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 52' ' ' LYS . 2.4 mm? -119.84 152.73 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 87.1 t -153.41 96.66 2.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.15 21.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.3 t -97.99 -55.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 173.54 -161.94 32.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 49.79 -90.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 0.749 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -166.69 27.78 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 17' ' ' ASP . 15.0 mm -113.37 165.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -147.6 163.38 36.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 7.2 tttt -84.47 129.04 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -93.94 61.94 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' NE2' ' CD2' ' A' ' 9' ' ' LEU . 1.9 tt0 -93.0 139.3 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.461 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.28 162.78 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' OE1' ' C ' ' A' ' 8' ' ' ILE . 4.1 tp-100 -130.0 143.62 50.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -137.87 160.79 38.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.354 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HB ' ' CG1' ' A' ' 37' ' ' VAL . 65.1 t -122.84 98.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.0 m -84.98 170.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -88.62 82.39 6.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 6' ' ' SER . 0.8 OUTLIER 58.96 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t70 -142.75 25.82 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -57.9 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.5 t -92.69 104.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.24 160.42 30.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -71.15 -8.66 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.452 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 ttp -59.89 -55.66 31.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.185 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 36' ' ' LEU . 59.3 mt -50.41 -41.34 52.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' THR . 29.5 tt0 -64.07 -52.59 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.9 OUTLIER -60.31 -13.92 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -99.38 -44.21 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.8 mt -74.25 -54.17 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.445 HG22 ' CG ' ' A' ' 70' ' ' GLU . 8.6 p -74.77 -2.2 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -61.2 -16.41 44.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.16 90.18 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.46 -8.66 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.43 13.79 16.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -149.09 -43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.453 HG11 ' CG1' ' A' ' 12' ' ' VAL . 39.3 t -84.06 125.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.377 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 31.8 tt0 -84.41 -38.79 19.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -179.49 112.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -85.18 151.65 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.27 -174.63 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.97 138.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 87' ' ' ALA . . . -98.78 -27.22 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 86' ' ' ALA . . . 167.6 169.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.397 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CE2' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -153.46 102.5 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -154.03 172.19 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 143.77 45.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.547 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.775 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mt -103.75 171.14 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 3.0 p -152.94 176.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 3' ' ' VAL . . . 79.9 90.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -108.91 170.61 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' HG23 ' A' ' 91' ' ' ILE . 15.7 t -142.42 168.36 19.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.088 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.543 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -114.9 149.35 37.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.943 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.416 ' CD1' HG12 ' A' ' 59' ' ' VAL . 3.4 mp -153.16 119.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 7.1 tp -102.06 145.12 29.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' CE ' ' A' ' 83' ' ' MET . 6.4 mp -129.67 155.12 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.42 88.57 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.28 146.37 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -113.94 130.49 23.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.0 36.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -69.83 -35.09 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.026 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.51 -178.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.83 -21.83 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.56 -32.45 73.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -69.82 108.78 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -61.63 128.27 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.0 mmm -84.76 -7.66 59.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.31 -36.02 22.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HG3' ' CB ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -82.75 -48.73 10.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -38.62 72.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.2 -52.19 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.68 -57.53 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.63 -53.83 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.608 1.193 . . . . 0.0 108.383 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.573 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -46.87 -40.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -52.97 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -38.93 -45.43 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.057 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.439 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 7.4 mt -44.22 129.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -150.76 137.33 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 166.94 29.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.72 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.23 8.49 44.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 69' ' ' LEU . 30.7 tp -111.58 137.43 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.9 t -142.89 141.66 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 64.6 m95 -97.73 -176.27 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.56 -136.34 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.7 m -108.32 128.71 54.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.6 p -87.92 163.17 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -130.1 156.52 44.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.385 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.14 153.06 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.2 t -152.61 100.12 2.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.366 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.15 18.73 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -148.48 44.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 152.14 106.5 0.31 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -38.29 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.28 -46.31 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLY . 2.7 mp -94.47 158.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -155.02 163.32 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.96 137.13 33.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.4 64.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 6.9 tt0 -90.11 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -149.9 164.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -130.01 142.08 50.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 5.9 p -127.85 178.18 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.4 t -141.15 108.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG12 ' CD1' ' A' ' 8' ' ' ILE . 1.6 m -92.4 166.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.0 tt0 -97.41 109.38 22.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.7 t70 47.44 -92.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -146.47 24.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -38.03 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 t -109.6 132.27 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.44 166.31 22.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 85.9 m -75.72 52.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.42 -54.37 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 1.6 ttp -72.58 -43.08 63.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 36' ' ' LEU . 4.3 mt -55.51 -41.74 73.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' O ' ' OG1' ' A' ' 74' ' ' THR . 19.7 tt0 -61.96 -56.55 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 16.4 mt-10 -58.1 -13.99 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 68' ' ' MET . 4.4 mm-40 -97.46 -47.6 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.3 mt -72.9 -52.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 13.4 p -74.37 -1.01 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -67.04 -19.36 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.6 90.77 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 111.0 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.1 mt-10 -77.14 -4.38 44.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -97.41 14.45 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 61.3 m-85 -150.31 -44.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -84.62 123.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 8.3 tt0 -84.15 -40.55 18.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p 177.74 107.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.461 ' CE ' HD22 ' A' ' 10' ' ' LEU . 5.9 ttt -80.54 153.37 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 83' ' ' MET . 7.7 m-20 -147.06 -175.24 4.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 143.55 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 87' ' ' ALA . . . -103.67 -27.29 12.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 86' ' ' ALA . . . 167.08 175.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.7 98.07 2.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.587 1.179 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' SER . 53.4 m-20 -143.74 -175.63 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -74.49 164.23 26.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.543 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.777 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.27 -154.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' ALA . 2.6 m -91.29 76.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 39.06 41.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 1.4 mmmm -122.07 171.77 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 t -155.95 167.67 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.049 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.5 ' CB ' HD11 ' A' ' 91' ' ' ILE . 2.4 t -128.36 142.53 51.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.0 120.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 tp -100.82 98.47 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD21 ' CE ' ' A' ' 83' ' ' MET . 1.6 mp -95.21 137.73 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -118.98 96.28 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' CG1' HG11 ' A' ' 80' ' ' VAL . 20.9 t -84.85 146.55 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -108.6 129.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' HG3' ' CE ' ' A' ' 21' ' ' MET . 18.4 Cg_endo -75.06 146.77 32.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -55.96 -38.88 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.34 174.88 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.4 -29.61 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 15.4 pt-20 -57.15 -49.46 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.433 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 12.9 m -38.4 114.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 100.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.453 ' CE ' ' HG3' ' A' ' 14' ' ' PRO . 56.4 mmm -69.04 -17.48 63.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.16 -37.32 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -77.71 -46.28 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -54.03 -39.05 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 2.8 tt0 -75.61 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 27' ' ' CYS . 3.3 pt-20 -50.92 -42.49 59.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 51.6 t -58.54 -53.49 57.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 108.282 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 40.4 t -45.31 -60.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -50.74 -43.91 58.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -49.21 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 97.9 mt -44.54 133.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 164.09 26.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 35' ' ' GLY . . . -169.51 62.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 35' ' ' GLY . 1.7 t70 40.87 -90.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . -76.54 38.2 1.44 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 34' ' ' ASP . 0.7 OUTLIER -113.57 109.14 18.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -103.05 136.29 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m95 -106.73 79.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -37.74 -60.96 1.16 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.563 1.165 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER 161.88 129.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.468 ' OG ' ' CG ' ' A' ' 25' ' ' GLU . 57.5 p -85.76 155.63 20.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 166.25 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 52' ' ' LYS . 1.4 mm? -117.83 151.59 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.66 99.51 6.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.69 19.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.26 -35.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.02 -122.17 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 25.2 p90 -139.11 97.42 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.26 -50.3 0.88 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.592 1.183 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.9 mp -96.04 163.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -152.54 163.96 38.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 2.2 mttt -85.68 138.68 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.46 72.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 3.2 tt0 -100.0 144.77 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -151.29 149.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -115.89 144.09 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -148.55 152.54 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 t -117.93 85.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.54 173.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.12 178.63 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.63 2.69 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -155.06 24.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -126.38 -78.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.8 t -107.17 165.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.34 -98.11 0.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -164.63 -40.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 5.4 p-10 -36.93 -46.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 9.2 ttp -63.6 -57.71 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.95 -42.6 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 74' ' ' THR . 3.2 tt0 -58.07 -54.43 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -67.25 -8.73 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 68' ' ' MET . 1.1 mm100 -96.11 -53.69 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -73.78 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -60.21 -20.97 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -40.54 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -89.57 86.96 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -73.51 -4.56 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.55 16.6 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.68 -43.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.437 HG11 ' CG1' ' A' ' 12' ' ' VAL . 86.5 t -84.1 123.0 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.581 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.1 tt0 -84.33 -29.11 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.4 m 163.45 117.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.477 ' CE ' HD21 ' A' ' 10' ' ' LEU . 5.9 ttt -78.59 157.86 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.467 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.6 m-20 -149.42 -174.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.83 124.98 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.85 -21.57 29.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.192 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 173.64 145.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.13 88.25 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -143.73 -174.7 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -74.4 164.11 26.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 7' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.776 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 118.99 -0.529 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.63 162.5 25.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 t -146.71 170.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.76 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -113.07 173.55 6.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 31.9 t -145.87 161.95 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -107.43 143.68 35.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.0 mp -143.66 98.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 23.1 tp -86.34 125.87 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD22 ' CE ' ' A' ' 83' ' ' MET . 10.9 mp -108.57 151.85 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.44 83.4 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 t -87.19 143.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -111.33 132.76 21.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.93 161.26 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -68.6 -31.76 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 108.052 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.41 -172.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -21.91 60.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.63 -38.37 80.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.473 ' CG2' HD11 ' A' ' 24' ' ' LEU . 24.2 m -46.6 108.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.27 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.219 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER -58.47 -42.49 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -54.61 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD11 ' CG2' ' A' ' 19' ' ' THR . 0.8 OUTLIER -55.88 -41.76 74.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.96 -46.43 68.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.8 mm-40 -65.74 -63.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -42.16 -57.14 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' CYS . 2.2 t -39.53 -45.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLU . 8.0 mtp180 -74.68 -44.56 49.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 p -49.91 -38.46 36.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 73' ' ' ILE . 92.2 mt -45.08 125.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -130.27 121.22 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -128.58 169.0 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.83 142.64 54.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 44.37 25.68 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . 3.2 tt -106.31 127.99 53.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -117.51 143.4 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m95 -109.35 108.29 18.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.97 -134.28 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -112.57 134.3 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.3 p -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.89 156.15 49.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -121.23 149.45 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.7 t -154.78 101.51 2.34 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.44 35.2 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.594 1.839 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.81 -92.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.172 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.71 90.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.31 -64.25 0.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.6 mp -94.81 162.57 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 0.81 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -153.57 159.28 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 148.79 26.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 74.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.408 ' NE2' HD22 ' A' ' 9' ' ' LEU . 8.3 tt0 -96.36 136.96 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -147.19 156.05 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 2.4 tp-100 -121.0 141.3 50.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 1.078 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -130.6 162.63 28.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' SER . 17.4 t -124.47 107.16 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 8' ' ' ILE . 8.5 m -98.08 172.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.3 mm-40 -91.79 78.42 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' A' ' 62' ' ' ASP . 2.8 t70 59.31 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLU . 19.4 t0 -137.37 26.34 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -50.49 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.95 123.12 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.24 164.8 15.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.432 HG22 ' CD2' ' A' ' 10' ' ' LEU . 20.0 m -75.05 -21.24 59.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 0.697 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.98 -59.32 1.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.413 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 1.7 ttp -58.26 -51.34 70.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.7 mt -52.15 -51.68 56.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -54.5 -54.84 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -59.57 -14.2 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' OE1' ' CE ' ' A' ' 68' ' ' MET . 1.8 tt0 -95.89 -49.66 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 31' ' ' ILE . 8.8 mt -75.43 -65.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.11 -20.89 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.19 -31.28 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -88.83 89.33 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -75.71 -8.28 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -92.0 9.3 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 32.5 m-85 -142.05 -42.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -83.97 124.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 4.7 tt0 -85.01 -35.38 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 p 171.16 103.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.935 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.471 ' CG ' ' N ' ' A' ' 84' ' ' ASP . 8.8 ttt -75.2 158.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 111.059 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 83' ' ' MET . 1.9 m-20 -150.17 -175.82 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -108.64 134.08 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.43 -32.51 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 173.95 176.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.21 90.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -146.01 172.69 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.81 159.43 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 0.4 OUTLIER 63.33 99.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 2' ' ' LEU . 96.2 t -154.25 156.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 72.58 80.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 13.9 mmtp -88.93 175.6 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.77 148.53 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.523 ' CB ' HD12 ' A' ' 91' ' ' ILE . 3.3 t -88.06 148.15 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.47 HD13 ' CE1' ' A' ' 88' ' ' PHE . 11.6 mm -141.99 103.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 11.2 tp -107.55 101.78 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' CD2' ' HE1' ' A' ' 83' ' ' MET . 1.1 mt -99.72 138.4 36.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.45 101.19 7.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG11 ' CG1' ' A' ' 80' ' ' VAL . 84.8 t -89.5 154.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.64 128.37 25.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 136.32 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.567 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -45.6 -38.72 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 178.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.15 -23.74 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.58 -39.83 88.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 24' ' ' LEU . 2.0 m -59.97 104.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.34 146.88 3.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 33.1 mmm -107.9 -10.39 15.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.79 -57.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 6.6 mttt -61.67 -44.75 96.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -57.08 -42.28 80.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.24 -56.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -55.85 -35.47 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -66.62 -52.5 44.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.592 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 2.5 t -48.64 -39.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -75.03 -48.05 25.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -46.03 -42.98 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' CD1' ' CG1' ' A' ' 73' ' ' ILE . 67.5 mt -39.97 123.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -111.59 137.35 49.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.68 161.54 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -70.15 153.32 43.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.91 30.64 0.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.36 131.76 53.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -126.74 109.41 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 7.9 m95 -80.62 105.87 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.25 -97.45 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -155.59 131.0 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -89.71 157.34 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.43 170.01 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 3.2 mm? -126.86 160.91 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' LYS . 81.1 t -154.32 115.82 2.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.28 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -90.87 -26.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' TYR . . . 167.75 74.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' GLY . 40.0 m-85 37.98 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.99 -83.25 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.2 mt -92.21 161.79 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -136.68 168.36 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' VAL . 4.1 mttt -94.28 130.52 40.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.83 77.45 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 3.2 tt0 -104.75 145.08 30.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.471 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -149.15 155.43 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.82 144.12 50.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.531 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -146.2 161.62 39.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 91' ' ' ILE . 10.0 t -119.92 76.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 64' ' ' VAL . 1.8 m -84.63 175.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.7 mm-40 -85.41 157.75 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 -0.04 57.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -141.62 24.78 2.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.88 -77.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 59' ' ' VAL . 1.9 t -85.6 150.2 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.44 11.57 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.067 . . . . 0.0 110.97 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.5 m 66.76 39.34 3.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 110.433 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -103.95 -57.21 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -41.66 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 ' CD2' HG23 ' A' ' 31' ' ' ILE . 72.4 mt -59.3 -37.82 78.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' THR . 20.7 tt0 -65.91 -55.54 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 21.4 mt-10 -58.39 -14.97 8.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -46.05 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.431 ' CG1' ' CD1' ' A' ' 31' ' ' ILE . 16.6 mt -73.35 -55.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.462 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 11.8 p -71.46 -7.35 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -56.62 -21.02 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.393 1.058 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -96.3 85.16 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.37 -4.54 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.452 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -93.44 8.58 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 43.7 m-85 -144.19 -44.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.406 ' CG1' HG11 ' A' ' 12' ' ' VAL . 56.0 t -85.69 130.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.567 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -84.89 -35.7 22.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m 173.68 118.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.462 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 4.1 ttt -86.19 151.84 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 83' ' ' MET . 42.5 m-20 -147.26 -175.76 4.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.65 127.54 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -85.89 -18.24 33.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 86' ' ' ALA . . . 168.24 161.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -143.29 90.18 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -153.58 -179.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 6.0 ttpp -90.91 163.64 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.523 HD12 ' CB ' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.695 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 mtt . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 118.987 -0.53 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.06 44.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.88 81.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.64 96.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -104.73 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' HG23 ' A' ' 91' ' ' ILE . 30.2 t -146.42 166.49 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.536 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -114.52 124.4 51.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mm -124.43 108.85 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.4 tp -93.32 126.46 38.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 10.5 mp -106.44 149.96 26.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.92 93.33 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.432 ' CG1' HG12 ' A' ' 80' ' ' VAL . 55.0 t -94.49 156.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -120.64 130.94 24.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.95 143.2 28.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -54.74 -32.81 60.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.3 175.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -30.3 3.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.34 -40.75 82.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.488 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 4.9 m -56.38 96.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.04 112.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' HD21 ' A' ' 53' ' ' LEU . 53.3 mmm -70.81 -29.04 65.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.61 -35.75 79.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -44.66 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' CD1' ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -62.54 -38.36 89.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.22 -35.21 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -75.58 -56.27 4.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 t -43.73 -53.05 6.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.55 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 11.6 t -51.32 -40.0 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -73.0 -41.68 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -50.14 -29.97 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.452 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 73.1 mt -58.43 127.96 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.84 123.07 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.18 156.99 47.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.75 125.98 25.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.04 32.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.057 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.41 ' CD2' HD22 ' A' ' 69' ' ' LEU . 7.9 tp -91.25 134.38 34.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -140.44 142.08 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 69.0 m95 -90.27 -174.72 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.38 -77.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.94 129.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.9 p -87.91 165.96 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -128.6 158.31 38.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -122.25 151.32 41.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.7 t -151.75 100.33 2.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HB3' ' CE ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.99 141.8 27.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -88.81 -62.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.31 -93.39 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.566 1.167 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -155.77 87.66 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.79 -49.09 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.6 mp -103.29 161.74 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 45' ' ' PRO . 7.4 mttt -150.74 165.87 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -84.77 155.21 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.355 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -116.05 61.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -88.23 137.78 32.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -144.7 145.57 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 57' ' ' CYS . 30.4 tp60 -114.93 142.83 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 7.6 p -136.76 177.46 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.8 t -134.73 84.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.3 175.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 63' ' ' LYS . 3.0 mm-40 -83.95 170.16 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -134.37 24.34 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.16 -46.79 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 55.1 t -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.92 174.18 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.1 m -75.82 51.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 0.722 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 2.3 tmm? -71.39 -47.1 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 36' ' ' LEU . 1.6 mt -54.28 -42.7 70.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CE ' ' A' ' 83' ' ' MET . 4.4 tt0 -59.15 -55.11 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 8.8 mt-10 -63.77 -9.78 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 68' ' ' MET . 5.5 mm-40 -97.92 -47.73 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.14 -53.08 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 18.3 p -74.29 -2.55 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -65.16 -11.7 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.91 92.68 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.7 mt-10 -83.28 -5.77 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -99.66 19.9 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 25.2 m-85 -154.68 -43.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.432 HG12 ' CG1' ' A' ' 12' ' ' VAL . 77.1 t -85.64 128.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 7.3 tt0 -84.72 -36.14 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.5 p 174.56 111.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 4.6 ttt -81.25 149.99 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 2.0 m-20 -152.3 -174.35 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.1 136.52 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.25 -26.48 18.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.18 164.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.11 98.47 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -154.3 172.18 18.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -78.3 172.74 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.536 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 1.1 tt . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.739 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtt . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 119.027 -0.511 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.3 50.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.56 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 1.3 p -127.01 -174.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 3' ' ' VAL . . . 89.2 78.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 60' ' ' GLU . 7.1 mtmm -119.58 171.06 8.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.458 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 13.2 t -135.6 170.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.501 ' CB ' HD11 ' A' ' 91' ' ' ILE . 10.3 t -130.69 128.51 41.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.055 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.1 mm -118.86 115.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD22 ' CD ' ' A' ' 54' ' ' GLN . 19.6 tp -92.02 106.05 18.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 66' ' ' THR . 10.5 mp -92.1 146.56 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -124.48 93.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' CG1' ' A' ' 80' ' ' VAL . 59.5 t -91.57 149.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 tptt -113.64 132.92 22.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.02 146.64 32.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.589 1.836 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -56.94 -27.58 61.21 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.49 -171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -23.47 63.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.31 -39.43 89.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.527 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 4.1 m -62.44 97.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.75 154.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -38.36 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -62.0 2.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.71 -57.43 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' CD1' ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER -48.06 -53.0 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -61.16 -57.77 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.7 mm-40 -50.86 -56.78 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -38.07 -68.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 108.338 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.596 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 40.2 t -39.35 -45.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 ttp180 -65.95 -51.45 58.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -38.65 -50.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 3.0 mt -39.49 122.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -130.02 146.61 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -161.33 143.93 12.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.53 -54.92 22.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.29 28.35 6.29 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD22 ' CD2' ' A' ' 69' ' ' LEU . 9.5 tp -132.2 130.68 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.9 t -128.85 139.98 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 11.9 m95 -105.03 112.74 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -78.79 0.63 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.8 p -176.67 131.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.943 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 79.5 p -86.47 159.94 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -131.3 158.68 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 3.8 mm? -121.49 148.4 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 95.2 t -155.46 111.26 2.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 134.1 17.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.8 -47.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.03 155.36 47.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -39.19 -50.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 0.741 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.88 24.79 3.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 14' ' ' PRO . 4.3 mp -115.72 162.67 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.8 mttt -130.03 165.9 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 1.2 ttpt -84.6 146.59 27.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -105.37 60.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' CD ' HD22 ' A' ' 9' ' ' LEU . 1.4 tt0 -86.37 138.26 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.455 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -146.77 146.75 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.485 ' NE2' ' HG ' ' A' ' 7' ' ' SER . 4.1 tp-100 -116.69 141.98 47.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.9 p -134.77 169.57 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.3 t -133.26 80.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.1 m -84.11 176.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -81.72 -178.98 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 -50.7 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -139.34 25.41 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -33.75 6.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -149.04 131.48 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . . . -123.14 179.85 16.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.464 ' CG2' HD22 ' A' ' 10' ' ' LEU . 88.0 m -76.33 53.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -112.82 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -49.68 -39.83 37.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' CD2' HD22 ' A' ' 36' ' ' LEU . 11.0 mt -61.24 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 74' ' ' THR . 21.4 tt0 -46.06 -57.49 4.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -49.41 -20.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 70' ' ' GLU . 1.1 tt0 -98.83 -48.14 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 69' ' ' LEU . 8.0 mm -64.98 -57.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 70' ' ' GLU . 51.6 p -69.42 -17.69 63.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -47.69 -27.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -93.32 97.19 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -86.92 -5.48 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.01 22.08 10.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 20.7 m-85 -154.99 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.451 ' CG1' HG12 ' A' ' 12' ' ' VAL . 55.6 t -84.74 127.45 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 13.1 tt0 -84.69 -32.71 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 p 172.18 112.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.453 ' CE ' ' HG3' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -84.92 151.12 24.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.67 -172.73 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.3 t -112.31 133.4 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.43 -28.95 16.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.71 149.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.66 97.7 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -153.14 168.97 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 7.6 ttpp -77.16 163.91 26.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.501 HD11 ' CB ' ' A' ' 7' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.763 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 118.98 -0.534 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -88.79 -166.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -106.2 107.85 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 38.54 53.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 60' ' ' GLU . 20.7 mmtt -133.31 171.48 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.453 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 33.3 t -154.82 166.31 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.548 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -115.1 130.38 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.451 HD13 ' CG2' ' A' ' 59' ' ' VAL . 8.1 mt -137.88 119.58 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 56' ' ' GLN . 16.9 tp -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 HD23 ' CE ' ' A' ' 83' ' ' MET . 4.4 mt -121.28 146.66 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.54 105.65 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 80' ' ' VAL . 18.7 t -92.84 147.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.64 127.68 26.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.97 134.38 17.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 12.8 m95 -48.57 -30.29 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 18' ' ' GLU . 4.2 m-20 177.3 166.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -27.23 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 16' ' ' ASP . 20.4 pt-20 -57.94 -37.29 73.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -57.58 102.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.33 102.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 76.0 mmm -61.55 -34.74 76.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.32 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -45.7 49.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -40.05 88.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.26 -45.82 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -65.05 -52.9 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 48.3 t -40.89 -63.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG11 ' CH2' ' A' ' 38' ' ' TRP . 2.2 t -39.79 -47.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.05 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -44.1 -28.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 29.6 mm -56.73 121.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -112.52 133.61 54.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 120.04 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.31 -49.09 9.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.93 33.48 3.99 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD22 ' CE2' ' A' ' 38' ' ' TRP . 12.4 tp -132.91 124.88 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 0.733 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.417 HG22 ' NZ ' ' A' ' 5' ' ' LYS . 74.3 t -117.12 104.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 11.6 m95 -79.18 108.1 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.62 -108.65 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.47 131.48 36.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 0.711 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.2 p -90.57 155.03 19.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.051 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.67 154.72 36.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -120.87 153.76 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' LYS . 86.2 t -152.71 120.87 3.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 139.6 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.2 t -148.61 58.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.063 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.43 112.72 2.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -37.22 106.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.37 -41.51 2.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 4.3 mt -94.39 161.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -155.41 162.83 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -86.17 148.19 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.08 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.8 tt0 -104.92 141.13 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -144.71 159.43 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -135.18 141.47 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.588 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 8.4 p -148.0 -180.0 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.214 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 5' ' ' LYS . 99.0 t -131.06 104.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 8' ' ' ILE . 4.0 m -84.46 173.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -92.12 74.4 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 t70 57.7 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 60' ' ' GLU . 8.6 t0 -135.98 25.38 3.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.15 -53.71 5.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.04 98.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 165.16 43.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.486 ' CG2' ' HE2' ' A' ' 83' ' ' MET . 1.2 m -75.27 -20.34 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.443 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -46.09 -51.69 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -42.27 94.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 11.9 mt -61.99 -40.24 94.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.472 ' O ' ' OG1' ' A' ' 74' ' ' THR . 29.1 tt0 -74.91 -25.33 58.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -16.31 61.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' CA ' ' HB1' ' A' ' 75' ' ' ALA . 6.1 pt20 -116.37 -47.42 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 89.7 mt -56.72 -83.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 38.4 p -54.07 -18.44 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB1' ' CA ' ' A' ' 72' ' ' GLN . . . -40.24 -29.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' THR . 1.4 m-85 -87.38 79.46 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 2.9 tt0 -70.35 -4.97 24.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -90.18 13.91 13.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 42.1 m-85 -155.44 -42.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG12 ' CG1' ' A' ' 12' ' ' VAL . 24.1 t -84.02 129.48 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 18.8 tt0 -86.69 -37.02 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m 167.3 119.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.486 ' HE2' ' CG2' ' A' ' 66' ' ' THR . 51.8 ttp -81.04 151.9 28.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 151.59 44.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 88' ' ' PHE . 4.2 p -89.62 124.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 -22.96 27.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.18 162.08 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD2' HG23 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -149.79 87.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -155.09 -178.82 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.79 167.2 22.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.548 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.782 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -91.09 170.87 9.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 34.0 t -143.75 157.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 3' ' ' VAL . . . 83.52 90.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -100.11 172.61 7.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.826 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -155.28 171.31 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.519 ' CB ' HD11 ' A' ' 91' ' ' ILE . 3.2 t -127.88 145.14 51.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 HG22 ' CE1' ' A' ' 88' ' ' PHE . 4.2 mp -132.99 123.55 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 16.3 tp -92.85 100.84 13.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' CD2' HG22 ' A' ' 66' ' ' THR . 7.8 mp -84.53 148.8 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -131.47 102.26 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' HG11 ' A' ' 80' ' ' VAL . 39.7 t -101.54 151.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.3 tttt -113.78 131.99 22.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.98 155.4 43.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -67.43 -22.6 65.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.34 170.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -27.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 23.5 pt-20 -59.04 -48.95 79.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.463 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 4.0 m -43.92 102.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.69 105.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 mtt -67.67 -22.62 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.62 55.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -45.62 33.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.52 -40.77 88.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 3.5 tt0 -75.22 -31.42 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -63.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -41.81 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.56 HG11 ' CH2' ' A' ' 38' ' ' TRP . 2.1 t -40.25 -47.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -41.7 79.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.7 p -52.5 -35.7 53.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 97.1 mt -50.31 126.77 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.51 157.25 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.18 131.05 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.06 64.28 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' HG13 ' A' ' 59' ' ' VAL . 5.7 tp -101.36 124.66 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.14 134.21 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CH2' HG11 ' A' ' 28' ' ' VAL . 76.0 m95 -102.49 82.55 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.031 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -43.61 -53.94 5.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.452 1.095 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER 160.98 135.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' OG ' ' CG ' ' A' ' 25' ' ' GLU . 77.5 p -85.24 167.02 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -137.7 165.13 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 1.4 mm? -122.93 152.23 41.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 84.4 t -154.25 99.63 2.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.45 25.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -102.47 -41.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.37 -128.99 2.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -130.06 88.01 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.95 -53.75 0.55 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.19 159.11 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -147.12 168.79 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.69 126.73 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.32 72.6 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 42' ' ' LYS . 2.4 mt-30 -96.88 137.11 36.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.446 HD11 ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -136.77 161.42 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 58.5 tt0 -129.32 145.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 p -142.43 176.61 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.6 t -134.96 74.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' CG2' HD12 ' A' ' 8' ' ' ILE . 33.2 m -85.56 175.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -84.44 171.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.31 4.47 15.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 18.3 t0 -155.88 25.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -125.73 -76.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.21 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.6 p -119.15 177.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.68 178.76 18.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 HG22 ' CD2' ' A' ' 10' ' ' LEU . 3.2 m -74.17 -22.27 59.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -38.0 -56.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 36' ' ' LEU . 11.3 mt -46.74 -65.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -45.09 -57.78 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.65 -24.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.44 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 7.4 tt0 -95.33 -40.39 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.1 mt -71.1 -67.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 76' ' ' PHE . 2.9 t -58.59 -23.77 59.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -39.44 -30.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.78 69.75 9.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.65 -13.71 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.39 14.87 5.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.478 ' CD2' ' CD1' ' A' ' 76' ' ' PHE . 95.3 m-85 -151.77 -41.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG11 ' CG1' ' A' ' 12' ' ' VAL . 61.1 t -83.44 128.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -86.48 -31.17 21.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 81' ' ' GLN . 2.3 m 169.61 112.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.16 152.46 32.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.09 -173.17 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.84 134.26 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -93.36 -35.34 13.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.072 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.25 -177.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.534 ' CE1' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -154.68 110.85 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -138.05 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.85 136.57 38.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.826 ' H ' ' HA ' ' A' ' 6' ' ' SER . 5.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.705 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtt . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 119.012 -0.518 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.7 136.32 55.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.7 p -155.18 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 72.9 86.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 4.9 mmtp -113.19 173.2 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.716 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 32.2 t -155.37 163.58 39.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.498 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 1.4 t -118.91 101.49 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.553 HG22 ' CZ ' ' A' ' 88' ' ' PHE . 8.6 mm -86.31 107.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -96.05 117.73 31.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 10.3 mp -109.19 149.23 29.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.88 91.93 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 t -88.75 148.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 128.11 25.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 142.96 28.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.423 1.749 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -48.02 -34.08 8.9 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.63 -176.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -18.13 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -71.84 -32.64 67.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -64.06 105.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 110.6 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.3 mmm -72.99 -29.38 63.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.188 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.84 80.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -73.02 -49.92 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -39.99 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -68.15 -63.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.6 mm-40 -54.36 -52.26 62.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 41.6 t -43.71 -58.46 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -48.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -27.79 69.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.4 p -66.93 -9.33 37.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.922 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.433 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 18.3 mm -73.53 128.89 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.03 151.01 34.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -171.95 147.67 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.52 150.33 46.93 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.4 16.72 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' CD1' ' CG1' ' A' ' 59' ' ' VAL . 0.5 OUTLIER -102.41 138.36 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -138.73 97.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.603 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 12.9 m95 -65.17 102.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.042 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.82 -68.28 1.68 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.72 148.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 p -98.41 158.3 15.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.24 160.59 27.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 2.2 mm? -119.9 155.22 33.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 93.1 t -154.04 101.05 2.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.62 22.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.76 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.5 t -84.48 -85.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.66 -46.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -157.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.22 13.84 56.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mp -102.88 158.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 9.1 mtpt -137.82 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -87.92 143.69 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.63 75.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.3 tt0 -97.49 142.89 28.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -147.89 152.44 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.4 tt0 -132.09 139.64 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.603 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -129.86 -170.77 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' SER . 57.1 t -153.5 73.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.44 ' CG1' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.17 174.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HB2' ' CD ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -82.06 172.76 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.34 8.76 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.69 25.83 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' CD ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -113.15 -89.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 69' ' ' LEU . 21.6 t -109.4 148.24 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.421 ' N ' HG11 ' A' ' 64' ' ' VAL . . . -111.96 -82.59 1.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.105 . . . . 0.0 111.075 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -170.86 -40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.813 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.22 -57.49 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -57.02 -60.26 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 64' ' ' VAL . 72.1 mt -50.29 -32.02 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' THR . 24.1 tt0 -72.37 -57.24 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -57.12 -16.64 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.422 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.7 tt0 -99.4 -43.32 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 63.8 mt -75.32 -60.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.47 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 15.8 p -67.17 -13.49 62.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -45.74 -26.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -89.04 79.0 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.05 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.96 -5.47 31.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.42 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 4.1 t70 -94.63 10.32 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 59.6 m-85 -145.31 -44.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.5 t -84.35 125.94 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.1 tt0 -84.91 -38.7 19.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.054 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.7 p -179.85 128.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.47 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 6.1 ttt -104.56 154.06 20.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 83' ' ' MET . 1.6 m-20 -147.09 -175.24 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.61 124.69 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 87' ' ' ALA . . . -84.9 -25.78 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 86' ' ' ALA . . . 164.9 161.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -143.41 85.0 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -129.4 169.18 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 136.9 34.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.716 ' H ' ' HA ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.777 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.896 -0.574 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 48.07 68.89 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -155.21 151.4 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.01 57.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -117.18 170.57 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.51 ' CA ' HG23 ' A' ' 91' ' ' ILE . 22.3 t -155.67 165.74 35.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.486 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 1.0 OUTLIER -119.93 142.46 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.046 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 59' ' ' VAL . 4.7 mp -139.91 116.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 ' HG ' ' NE2' ' A' ' 54' ' ' GLN . 22.6 tp -87.27 117.63 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 6.5 mp -99.86 153.47 19.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.68 94.75 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -85.17 147.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 122.32 34.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.02 133.65 16.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.428 1.751 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 27.9 m95 -43.11 -39.29 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.6 177.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -29.19 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.12 -43.12 73.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 14' ' ' PRO . 1.2 m -56.63 99.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 142.43 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.448 ' CE ' ' HG3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -100.48 -9.74 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.68 -30.5 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -86.74 -47.9 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -37.99 75.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.1 -36.56 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.3 tt0 -72.58 -59.12 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLU . 20.8 t -41.64 -64.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.592 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 2.4 t -40.11 -39.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -75.44 -54.09 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ILE . 86.0 p -38.46 -46.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.504 ' CG2' ' CD2' ' A' ' 69' ' ' LEU . 87.0 mt -39.96 127.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.77 150.88 50.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -164.18 146.59 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.27 -52.91 63.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.53 26.14 8.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -121.75 124.51 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.374 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.77 99.66 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.621 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m95 -66.02 140.31 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 107.985 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.05 -94.79 2.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.54 134.76 15.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.067 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -97.83 157.76 15.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -134.76 163.84 28.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 2.9 mm? -121.49 159.59 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 53.1 t -155.23 99.0 2.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.86 -32.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.14 -61.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 175.25 -34.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.55 -58.24 2.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.1 mp -92.82 161.11 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 19.9 mtmt -148.72 160.24 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.59 143.89 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 73.74 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' NE2' ' HG ' ' A' ' 9' ' ' LEU . 3.2 tt0 -100.93 141.42 33.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.482 HG13 ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -150.09 157.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -121.76 142.76 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.621 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -132.31 -171.73 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 108.216 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.9 t -151.23 78.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 8' ' ' ILE . 2.7 m -84.51 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -84.32 173.38 11.0 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.62 3.95 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -160.42 26.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -132.33 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG1' ' OD1' ' A' ' 67' ' ' ASP . 96.9 t -129.61 141.79 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' HG11 ' A' ' 64' ' ' VAL . . . -145.31 87.27 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' GLY . 41.0 m 35.09 42.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.757 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' OD1' ' CG1' ' A' ' 64' ' ' VAL . 3.1 p-10 -101.03 -60.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.6 ttp -68.96 -47.52 65.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 21.0 mt -51.91 -31.83 30.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -73.0 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -59.97 -11.15 5.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -102.2 -52.48 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 45.5 mt -67.82 -50.75 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.447 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 3.2 p -78.2 4.65 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -73.7 -7.99 54.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.51 79.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -4.99 39.09 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.73 17.84 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -155.03 -43.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.53 131.07 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 20.5 tt0 -84.95 -36.08 21.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 p 172.89 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.465 ' HG2' ' N ' ' A' ' 84' ' ' ASP . 6.4 ttp -79.98 149.23 30.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 83' ' ' MET . 3.7 m-20 -143.98 -175.67 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.22 126.13 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 -20.49 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.44 165.59 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.89 88.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -142.93 172.44 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.598 ' HG3' ' H ' ' A' ' 91' ' ' ILE . 11.9 tttt -74.95 164.42 26.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.598 ' H ' ' HG3' ' A' ' 90' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.793 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 118.995 -0.526 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.11 142.51 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.56 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 76.7 t -140.54 150.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 3' ' ' VAL . . . 88.65 77.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 12.1 mmtp -90.76 175.23 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 128.82 12.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.516 ' OG ' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.92 95.88 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.586 HG12 ' CD1' ' A' ' 88' ' ' PHE . 2.7 mp -84.82 142.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 43.4 tp -117.03 99.56 7.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -89.42 129.83 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -103.18 97.28 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 80' ' ' VAL . 60.1 t -84.95 151.1 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 127.12 25.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 144.35 29.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 4.7 m95 -58.14 -27.84 64.14 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -178.47 -176.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -21.29 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -23.59 66.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.487 ' CG2' HD13 ' A' ' 24' ' ' LEU . 2.5 m -66.37 109.74 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.88 95.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 51' ' ' LYS . 28.5 mmm -62.41 -30.38 71.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.09 79.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.42 20.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD13 ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -56.13 -41.3 75.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.27 -47.58 49.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -61.72 -61.24 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -47.37 -47.82 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.3 t -44.66 -44.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -44.05 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -49.17 -24.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 HG23 ' CD2' ' A' ' 69' ' ' LEU . 56.6 mt -54.86 128.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 138.79 47.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.78 155.52 25.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 132.7 50.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.51 8.17 59.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.14 116.94 33.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 135.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.504 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 24.7 m95 -94.16 121.22 35.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.0 -91.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.98 130.34 11.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.4 p -88.5 161.61 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.73 154.97 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -124.15 148.61 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' LYS . 1.8 t -151.3 134.98 9.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 138.63 23.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 t -154.4 126.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.9 -147.4 29.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 107.29 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.13 -0.13 84.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mt -102.42 162.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -144.96 168.32 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -93.46 135.66 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -102.74 68.63 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.243 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.454 ' CG ' HD13 ' A' ' 9' ' ' LEU . 12.6 tt0 -97.1 140.63 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.439 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -150.56 152.05 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.45 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 33.4 tt0 -116.94 141.73 47.85 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 1.063 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.504 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -116.63 -166.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.6 t -151.39 59.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -83.98 163.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -81.94 4.76 21.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.55 25.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 -92.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 65' ' ' GLY . 71.8 t -108.58 165.62 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' CG1' ' A' ' 64' ' ' VAL . . . -135.04 -162.08 9.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.474 ' CG2' ' HE2' ' A' ' 83' ' ' MET . 0.9 OUTLIER -74.97 -30.67 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -39.18 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -39.35 -56.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' CD2' HG23 ' A' ' 31' ' ' ILE . 25.7 mt -49.83 -58.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' HB2' ' CE ' ' A' ' 83' ' ' MET . 53.4 tt0 -50.71 -52.18 42.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -9.78 27.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 1.6 tt0 -97.83 -50.97 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.79 -63.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.434 ' C ' ' N ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -54.81 -23.87 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.06 82.09 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 5.2 mm-40 -69.89 -9.57 55.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.22 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.37 10.13 23.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -147.62 -41.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG12 ' CG1' ' A' ' 12' ' ' VAL . 61.7 t -83.37 127.9 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 27.3 tt0 -84.84 -35.01 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 p 168.57 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.474 ' HE2' ' CG2' ' A' ' 66' ' ' THR . 24.0 ttp -77.11 150.72 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 83' ' ' MET . 0.8 OUTLIER -142.42 -174.97 4.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.634 1.209 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.37 137.86 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.203 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -110.7 -20.44 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -176.29 145.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.586 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -155.46 85.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -155.73 -177.54 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 140.82 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.516 ' CD1' ' OG ' ' A' ' 7' ' ' SER . 34.6 mt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.778 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 118.95 -0.548 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.4 tt -44.93 109.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 2.2 p -155.21 173.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 3' ' ' VAL . . . 84.12 83.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -97.74 165.0 12.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.502 ' CA ' HG23 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -157.39 172.19 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.542 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -117.04 147.37 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.481 HG23 ' CD1' ' A' ' 10' ' ' LEU . 3.1 mp -144.93 129.08 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.7 tp -102.95 111.21 23.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' CD1' HG23 ' A' ' 8' ' ' ILE . 5.4 mp -101.54 141.49 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.76 107.91 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 83' ' ' MET . 0.1 OUTLIER -108.13 129.34 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.9 tttt -88.89 137.54 29.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.92 143.14 28.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -54.53 -21.88 11.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER 163.09 166.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' A' ' 16' ' ' ASP . 0.5 OUTLIER -40.83 -31.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' ASP . 11.4 pt-20 -56.98 -51.0 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.52 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 2.0 m -39.98 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.24 99.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.427 ' CE ' HD21 ' A' ' 53' ' ' LEU . 15.4 mtp -66.13 -18.36 65.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.59 50.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -37.04 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.52 ' CD1' ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -67.38 -41.12 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -52.2 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -58.31 -55.72 31.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.7 t -48.39 -53.54 17.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -48.01 -38.12 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -34.98 62.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 p -69.23 -26.94 65.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 22.1 mm -44.5 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.061 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 139.83 51.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.79 167.47 28.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -76.74 140.26 40.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.22 16.88 36.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.051 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.1 tp -93.88 142.29 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.757 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.53 114.45 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 17.8 m95 -84.29 123.0 29.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 107.996 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 -80.9 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -164.72 134.85 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -91.54 155.1 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 153.5 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -114.67 160.69 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -153.72 100.43 2.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.47 23.04 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.35 -70.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 48' ' ' TYR . . . -173.92 174.82 46.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 2.5 t80 68.61 -63.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.784 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.04 40.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 12.6 mt -129.58 157.16 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 50' ' ' ILE . 0.3 OUTLIER -138.28 169.45 17.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 125.51 37.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.427 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -85.01 63.34 8.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.69 137.07 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.29 156.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 7.2 tm0? -122.82 144.03 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 1.067 . . . . 0.0 110.39 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.579 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -147.19 155.18 41.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 91' ' ' ILE . 21.7 t -108.83 77.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 69' ' ' LEU . 2.2 m -84.03 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -84.27 172.61 11.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.3 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.57 5.15 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 5.0 t70 -91.02 -67.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.86 -24.45 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 60' ' ' GLU . 21.7 t -83.97 151.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.42 ' N ' HG11 ' A' ' 64' ' ' VAL . . . -161.51 170.56 37.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.956 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -72.92 -26.14 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -72.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -65.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD1' HG13 ' A' ' 59' ' ' VAL . 41.1 mt -44.51 -47.17 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.479 ' CG ' HG22 ' A' ' 74' ' ' THR . 14.8 tt0 -61.41 -50.34 73.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 1.5 mm-40 -59.06 -14.3 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 2.1 tt0 -101.26 -49.25 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.84 -56.46 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.479 HG22 ' CG ' ' A' ' 70' ' ' GLU . 9.6 p -72.22 -6.19 41.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -60.12 -20.31 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.0 85.3 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 8.8 mt-10 -79.71 -4.21 50.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.68 12.63 24.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -149.34 -43.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG12 ' CG1' ' A' ' 12' ' ' VAL . 97.7 t -84.27 128.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.574 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.3 tt0 -84.55 -35.97 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -176.97 131.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.477 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 1.3 tmt? -104.36 151.83 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.92 -173.16 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.8 131.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.79 -20.53 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.79 161.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.68 89.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -143.87 -176.15 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' CD ' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.1 146.79 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.542 ' HB ' ' CB ' ' A' ' 7' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.772 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 119.02 -0.514 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 58.07 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.8 172.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 75.64 80.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -103.43 172.7 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 34.1 t -154.78 166.91 31.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.445 1.091 . . . . 0.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.515 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -114.56 147.1 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 88' ' ' PHE . 4.8 mp -145.0 101.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' N ' HE22 ' A' ' 56' ' ' GLN . 8.7 tp -85.99 131.89 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 9.6 mp -120.71 153.01 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.81 127.38 26.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG12 ' CG1' ' A' ' 80' ' ' VAL . 68.7 t -120.45 150.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 125.69 29.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.77 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 20.2 m95 -48.72 -35.5 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -167.23 -175.99 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -21.5 66.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.09 -37.52 85.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -49.93 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -46.12 128.11 9.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.426 ' CE ' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -79.48 -32.75 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -62.2 -45.59 92.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -53.12 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -39.95 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -75.3 -40.13 58.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' ALA . 2.5 tt0 -67.45 -54.13 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 49.7 t -40.99 -56.42 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.589 HG11 ' CZ2' ' A' ' 38' ' ' TRP . 21.0 t -50.2 -68.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -44.85 -49.35 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -41.12 -31.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.449 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 44.6 mt -55.95 119.35 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.75 143.7 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 36' ' ' LEU . . . -163.3 129.27 3.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -46.51 -47.92 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.67 24.56 14.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.409 1.068 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD1' HD22 ' A' ' 69' ' ' LEU . 2.0 tp -122.35 118.75 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -115.57 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CZ2' HG11 ' A' ' 28' ' ' VAL . 3.1 m95 -60.66 137.39 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.66 -117.91 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.614 1.197 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.9 p -129.92 131.27 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 p -89.89 159.86 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -127.01 154.02 45.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.17 155.45 31.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' LYS . 3.0 t -151.42 116.56 3.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 155.7 43.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.2 t -133.69 168.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 48' ' ' TYR . . . -60.27 168.86 8.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 68.73 -64.71 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 159.45 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.6 mt -114.32 163.66 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 5.0 mtpt -139.41 159.14 42.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 ttmt -93.39 148.38 22.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD21 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -108.63 69.61 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -93.23 139.33 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -146.1 160.24 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' NE2' ' C ' ' A' ' 8' ' ' ILE . 15.4 tp60 -126.65 141.72 51.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.587 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -133.76 160.18 38.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.287 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' SER . 48.6 t -124.84 108.93 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 8' ' ' ILE . 1.4 m -100.04 170.97 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.185 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' ASP . 4.2 mm-40 -84.23 72.11 10.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.28 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . 13.1 t70 -155.13 27.64 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 15.5 tttt -82.38 -57.08 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 36' ' ' LEU . 6.4 t -96.4 116.84 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.58 167.88 22.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 1.2 m -75.73 -0.51 21.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 0.792 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -59.07 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -59.97 -56.94 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 36' ' ' LEU . 1.4 mp -51.6 -50.67 59.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.471 ' CG ' HG22 ' A' ' 74' ' ' THR . 22.2 tt0 -56.14 -51.18 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -58.18 -15.84 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.69 -46.12 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.405 HG12 ' CG2' ' A' ' 28' ' ' VAL . 6.2 mt -69.6 -53.13 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 70' ' ' GLU . 15.1 p -75.11 -1.71 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 71' ' ' GLU . . . -70.15 -12.22 61.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.3 95.55 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -87.83 -5.72 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 p-10 -95.15 16.05 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 43.8 m-85 -153.2 -44.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 12' ' ' VAL . 71.8 t -84.75 129.65 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.56 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 21.1 tt0 -84.93 -36.16 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m 174.46 115.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.452 ' CE ' HD22 ' A' ' 10' ' ' LEU . 1.1 tmt? -87.2 152.06 22.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -147.84 -173.68 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.85 143.96 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.92 -29.0 11.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 170.77 173.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.52 ' CE2' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -154.28 92.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -148.84 172.41 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 91' ' ' ILE . 18.5 tttm -82.34 165.23 20.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.515 HD12 ' CB ' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.763 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HD2' HG12 ' A' ' 58' ' ' VAL . 7.9 mmtp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.466 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.1 t -155.42 166.71 32.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.806 ' HB2' HD12 ' A' ' 91' ' ' ILE . 1.2 t -123.96 128.58 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mt -133.55 116.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.71 HD13 ' NE2' ' A' ' 56' ' ' GLN . 16.1 tp -94.37 130.57 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.636 HD21 HG23 ' A' ' 66' ' ' THR . 3.7 mp -113.87 157.36 22.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.96 123.37 13.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.713 ' CG1' HG13 ' A' ' 80' ' ' VAL . 36.6 t -127.81 148.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 tttt -108.69 131.37 21.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.01 148.21 34.94 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.587 1.835 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -54.86 -34.8 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -179.6 179.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -25.84 50.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.41 -38.2 79.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.868 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.0 m -52.74 102.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.17 102.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -63.49 -34.43 77.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.28 79.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -44.9 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.868 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.96 -44.84 96.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.648 ' OE1' HD21 ' A' ' 43' ' ' LEU . 3.8 tp10 -68.68 -34.43 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 tt0 -75.51 -61.21 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 43.0 t -40.98 -53.81 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 24' ' ' LEU . 49.1 t -45.63 -45.9 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -70.86 -53.16 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 p -38.76 -47.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 77.7 mt -41.86 131.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.13 151.74 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -160.15 167.47 27.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.56 125.72 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.48 10.51 70.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 HG11 ' A' ' 64' ' ' VAL . 7.7 tt -94.93 122.16 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.3 t -113.46 133.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m95 -104.17 118.11 35.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.05 -147.99 23.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -95.86 141.91 28.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 0.708 . . . . 0.0 109.964 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 83.5 p -96.72 163.93 12.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' O ' HD22 ' A' ' 43' ' ' LEU . 4.3 mtpt -127.9 159.67 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD21 ' OE1' ' A' ' 25' ' ' GLU . 3.7 mm? -125.1 147.67 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 t -143.71 103.58 4.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.2 Cg_endo -75.03 137.62 21.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.95 -16.54 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.45 55.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.49 164.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.769 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 -59.33 1.69 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.44 158.58 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 45' ' ' PRO . 2.9 mttt -151.9 164.71 36.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.617 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -85.86 146.12 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.732 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -102.45 66.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -90.9 137.79 32.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.595 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.72 153.2 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.71 ' NE2' HD13 ' A' ' 9' ' ' LEU . 6.1 tp-100 -115.83 144.33 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.1 p -137.05 161.21 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG22 ' CD1' ' A' ' 91' ' ' ILE . 52.4 t -127.65 95.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.5 HG11 ' O ' ' A' ' 64' ' ' VAL . 16.0 m -84.82 169.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -91.32 78.27 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 62.77 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -142.07 26.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -56.77 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.705 HG11 HD12 ' A' ' 36' ' ' LEU . 45.6 t -98.49 112.16 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.88 161.7 22.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.636 HG23 HD21 ' A' ' 10' ' ' LEU . 1.1 m -75.44 -21.24 58.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.417 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.15 -53.66 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.414 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 1.8 tmm? -64.96 -54.88 23.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 36' ' ' LEU . 5.8 mt -49.47 -44.44 45.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.634 ' HG3' HG21 ' A' ' 74' ' ' THR . 16.0 tt0 -62.13 -53.88 49.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.04 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 33.8 mt-10 -59.11 -13.59 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 2.1 mm-40 -99.62 -47.35 5.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 28' ' ' VAL . 11.7 mt -72.95 -53.62 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 70' ' ' GLU . 6.3 p -75.29 -0.65 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.04 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -63.22 -14.9 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.88 91.63 4.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -74.74 -4.81 39.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.474 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 t70 -99.0 17.71 19.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 76.8 m-85 -151.19 -45.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 ' CG1' ' A' ' 12' ' ' VAL . 36.3 t -84.27 123.17 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 5.5 tt0 -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -178.69 112.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.63 152.19 25.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.01 -174.6 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.58 139.42 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -98.0 -25.4 14.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.402 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 171.86 173.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.12 97.19 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -153.23 -178.41 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -75.06 170.31 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.806 HD12 ' HB2' ' A' ' 7' ' ' SER . 4.5 tt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 60' ' ' GLU . 2.4 mmmm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.785 ' HA ' HG22 ' A' ' 91' ' ' ILE . 30.4 t -153.05 170.86 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.73 ' HB2' HD13 ' A' ' 91' ' ' ILE . 26.4 t -130.47 151.1 51.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.03 120.42 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.686 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 15.8 tp -90.52 116.45 28.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.95 163.45 13.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 5.0 t0 -150.12 89.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.706 HG13 HG13 ' A' ' 80' ' ' VAL . 75.1 t -94.08 155.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -115.15 136.12 22.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 151.99 40.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -62.29 -24.77 67.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.09 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -15.35 42.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.59 -34.26 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.632 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.3 m -67.23 88.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -40.1 122.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.687 ' HE1' HD23 ' A' ' 53' ' ' LEU . 49.9 mmm -76.55 -30.59 57.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.72 81.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -66.67 -51.2 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.853 HD13 ' HG ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.15 -41.08 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.19 -59.62 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.49 -54.97 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' SER . 12.2 t -42.13 -58.42 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.554 HG22 HG12 ' A' ' 73' ' ' ILE . 3.1 t -43.39 -52.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -32.42 73.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.3 p -64.65 -24.68 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 72' ' ' GLN . 9.7 mm -65.72 129.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -124.0 164.64 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.15 158.35 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.12 147.87 52.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.61 21.48 4.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.021 HD11 ' CD1' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.2 127.27 52.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -129.77 114.3 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 23.3 m95 -72.81 -176.9 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.6 -97.91 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.4 m -154.43 133.86 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 109.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 78.5 p -92.69 158.78 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.32 158.81 33.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 51' ' ' LYS . 1.8 mm? -118.38 154.28 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 43' ' ' LEU . 5.1 t -152.7 104.07 2.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 136.14 20.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.62 -74.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.16 154.83 26.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.5 -161.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 0.812 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 49.45 4.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.7 mt -126.89 160.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.408 0.71 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' HD12 ' A' ' 43' ' ' LEU . 1.9 mptt -151.05 166.89 29.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' HD13 ' A' ' 43' ' ' LEU . 2.2 mttt -87.25 129.49 34.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.853 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.17 68.73 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.565 ' NE2' HD21 ' A' ' 9' ' ' LEU . 2.6 tt0 -94.47 141.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.467 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -146.01 160.57 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -130.37 143.27 50.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 2.7 p -139.38 174.81 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.754 HG13 HG21 ' A' ' 91' ' ' ILE . 97.5 t -134.12 86.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.487 ' HB ' HG12 ' A' ' 64' ' ' VAL . 1.5 m -84.77 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 2.1 mp0 -83.05 -172.71 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.94 -57.59 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.36 24.77 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -38.99 7.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.743 HG11 HD12 ' A' ' 36' ' ' LEU . 53.4 t -140.3 147.77 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.76 -104.41 1.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 66' ' ' THR . 2.7 m -162.9 27.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.441 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.71 -43.47 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.555 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 3.2 ttp -75.38 -51.74 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.021 ' CD1' HD11 ' A' ' 36' ' ' LEU . 74.7 mt -53.42 -29.51 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 74' ' ' THR . 27.6 tt0 -74.92 -57.43 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.069 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 5.3 pt-20 -58.31 -13.33 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.635 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.6 mm-40 -96.44 -45.6 6.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 69' ' ' LEU . 13.5 mt -75.51 -53.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.43 HG21 ' HG3' ' A' ' 70' ' ' GLU . 19.6 p -70.16 -14.5 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.069 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -49.55 -25.64 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.91 84.92 5.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -4.64 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' HD1' HG23 ' A' ' 19' ' ' THR . 36.6 m-85 -151.8 -44.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.706 HG13 HG13 ' A' ' 12' ' ' VAL . 62.3 t -84.58 127.04 40.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.548 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.9 tt0 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -179.93 115.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -86.23 151.83 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.36 -173.7 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -108.15 144.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -107.55 -21.02 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 176.01 167.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.12 97.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' OG ' ' A' ' 6' ' ' SER . 43.2 m-80 -150.95 178.27 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 5.9 ttpm? -78.64 165.04 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.525 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.752 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 7.2 mmtp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.668 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.8 t -155.02 167.72 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.091 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.706 ' HB3' HD12 ' A' ' 91' ' ' ILE . 27.6 t -127.95 150.17 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.637 HD12 ' C ' ' A' ' 7' ' ' SER . 4.3 mp -137.77 119.13 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.702 HD21 ' NE2' ' A' ' 54' ' ' GLN . 12.6 tp -84.53 108.63 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 66' ' ' THR . 9.8 mp -84.84 150.86 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 97.06 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.664 HG13 HG13 ' A' ' 80' ' ' VAL . 70.9 t -100.9 156.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.52 128.34 24.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.75 19.56 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 2.0 m95 -44.37 -37.9 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -175.16 -171.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -25.8 68.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.08 -40.39 89.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.872 ' CG2' HD12 ' A' ' 24' ' ' LEU . 31.2 m -50.56 101.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.74 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.758 ' HE2' HD23 ' A' ' 53' ' ' LEU . 6.6 mtp -56.47 -33.87 66.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.42 85.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -77.16 -50.07 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.872 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.16 -36.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.03 -62.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 20.6 mm-40 -53.26 -51.75 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -43.98 -54.3 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.588 HG13 ' CH2' ' A' ' 38' ' ' TRP . 24.7 t -52.19 -39.06 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 23.1 mtt180 -70.71 -55.94 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 p -46.4 -40.82 12.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 62.4 mt -50.34 129.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -135.32 167.42 21.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.77 165.46 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.02 138.72 54.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.72 14.62 23.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.768 HD11 ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -101.2 130.61 47.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -129.85 126.04 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CH2' HG13 ' A' ' 28' ' ' VAL . 19.4 m95 -90.94 125.52 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.96 -142.39 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.157 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.32 126.65 52.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 55' ' ' ILE . 78.1 p -84.65 168.89 14.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -132.75 157.82 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.1 mm? -122.56 149.64 43.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 43' ' ' LEU . 65.6 t -155.17 116.42 2.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 140.51 25.43 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 47' ' ' GLY . 4.5 p -139.52 179.43 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.69 ' H ' HG22 ' A' ' 46' ' ' VAL . . . 38.64 -122.51 1.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.8 p90 -145.58 104.75 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.54 -26.14 21.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.4 mp -87.14 162.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -139.48 166.33 24.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -92.56 141.15 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.758 HD23 ' HE2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -103.28 71.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' A' ' 9' ' ' LEU . 1.5 tt0 -93.84 140.0 30.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -144.48 166.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -129.42 144.88 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' SER . 1.4 p -135.88 162.96 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.45 84.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.9 m -84.72 175.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.52 -173.27 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.25 17.64 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.87 -62.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG13 ' HB ' ' A' ' 59' ' ' VAL . 8.1 p -134.9 146.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.44 -175.96 14.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 66' ' ' THR . 6.1 m -73.51 57.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -61.92 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.64 -42.5 95.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.768 ' HG ' HD11 ' A' ' 36' ' ' LEU . 14.1 mt -57.93 -44.0 86.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.576 ' HG3' HG21 ' A' ' 74' ' ' THR . 21.3 tt0 -61.81 -57.55 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.035 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 2.2 mm-40 -57.53 -13.77 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 -48.46 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.7 mt -72.8 -53.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.576 HG21 ' HG3' ' A' ' 70' ' ' GLU . 11.0 p -72.97 -2.49 21.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.035 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -64.67 -13.0 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.72 89.8 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -4.74 56.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.2 t70 -96.34 14.18 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 49.0 m-85 -147.71 -44.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 HG13 ' A' ' 12' ' ' VAL . 77.8 t -84.86 131.56 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.556 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 3.3 tt0 -85.89 -34.66 20.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 173.43 114.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 83' ' ' MET . 1.1 tmt? -87.54 151.36 23.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -154.37 -172.91 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.498 HG21 ' HD2' ' A' ' 88' ' ' PHE . 7.6 p -107.56 139.98 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -98.2 -24.65 15.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 177.51 171.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' HD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -148.95 101.77 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -142.45 164.85 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 146.52 28.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' A' ' 7' ' ' SER . 7.1 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.733 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 5.9 mmtp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.755 ' CA ' HG22 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -151.78 169.48 22.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.714 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -114.94 143.41 45.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 7' ' ' SER . 8.6 mm -142.12 115.19 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.0 tp -95.43 119.42 33.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.864 HD21 HG23 ' A' ' 66' ' ' THR . 10.3 mp -102.0 151.62 21.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.46 101.54 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.705 ' CG1' HG13 ' A' ' 80' ' ' VAL . 3.6 t -99.37 142.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.61 122.75 39.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' HB3' HG21 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 139.93 24.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.7 m95 -42.72 -39.59 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 107.962 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.88 -170.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -22.59 67.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' THR . 8.6 pt-20 -62.2 -34.83 77.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.817 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.75 98.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.4 mmm -65.71 -45.82 81.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.42 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -48.5 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.817 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.25 -49.18 78.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.44 -57.34 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.21 -61.14 2.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' SER . 42.2 t -43.96 -54.36 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 24' ' ' LEU . 4.3 t -41.93 -48.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.42 75.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' CYS . 5.8 p -56.78 -27.91 60.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.79 HD12 ' HG2' ' A' ' 72' ' ' GLN . 41.1 mm -52.66 121.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.78 144.12 44.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.77 162.02 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.29 143.47 50.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.18 21.32 11.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -109.5 129.21 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.81 128.16 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 32.9 m95 -93.97 112.91 24.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 108.06 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.46 -77.6 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 141.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 p -102.16 153.58 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 164.82 27.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.7 mm? -117.06 151.99 35.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.5 t -149.32 101.42 3.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.94 138.17 22.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.18 -62.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 48' ' ' TYR . . . -99.61 -60.51 0.85 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.1 -38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.03 -56.96 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.3 mp -85.94 163.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.24 161.08 38.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.09 137.72 32.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.623 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -96.21 81.3 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -107.58 138.67 43.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.648 HG21 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.1 145.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.391 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.584 ' OE1' HD13 ' A' ' 9' ' ' LEU . 60.0 tp60 -109.75 143.86 38.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -137.8 161.43 36.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG22 HD13 ' A' ' 91' ' ' ILE . 49.4 t -117.74 80.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 m -84.54 175.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -84.16 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 -46.78 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.51 26.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -96.05 -70.04 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.96 144.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.98 161.48 12.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.864 HG23 HD21 ' A' ' 10' ' ' LEU . 1.3 m -75.07 -21.63 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.45 -56.1 3.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -40.32 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 36' ' ' LEU . 24.4 mt -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 74' ' ' THR . 24.1 tt0 -66.67 -44.08 82.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 5.4 pt-20 -74.97 -1.44 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.79 ' HG2' HD12 ' A' ' 31' ' ' ILE . 6.0 tp60 -110.69 -49.04 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -56.04 -24.75 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -39.53 -31.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -85.34 74.44 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -62.75 -13.33 31.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.06 7.97 16.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -145.84 -44.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.705 HG13 ' CG1' ' A' ' 12' ' ' VAL . 54.3 t -84.35 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.58 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.5 tt0 -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m 170.09 115.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -75.25 153.28 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.452 ' N ' ' SD ' ' A' ' 83' ' ' MET . 1.2 m-20 -148.32 -174.03 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.75 129.07 70.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -88.55 -31.46 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 179.84 170.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.62 95.15 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -140.73 -177.89 5.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -90.3 147.81 23.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.755 HG22 ' CA ' ' A' ' 6' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.759 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 91' ' ' ILE . 9.5 t -151.42 168.91 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.045 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.537 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -111.67 137.18 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 7' ' ' SER . 5.5 mm -138.86 108.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.694 HD13 ' OE1' ' A' ' 56' ' ' GLN . 12.0 tp -92.36 138.44 31.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 4.5 tp -121.22 162.14 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -143.2 106.34 4.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.664 ' CG1' HG13 ' A' ' 80' ' ' VAL . 2.2 t -101.24 136.43 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 123.35 51.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 138.5 23.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -43.1 -37.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.64 -174.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -15.75 37.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.15 -31.04 60.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.719 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.3 m -62.92 108.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.9 154.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.583 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -110.98 -36.25 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -70.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -61.22 2.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -41.4 -45.47 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.56 -61.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 13.2 mm-40 -45.64 -53.18 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -56.02 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.436 1.085 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 24' ' ' LEU . 61.4 t -46.93 -42.36 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 mtt85 -65.69 -50.63 64.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -38.84 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.578 HD13 ' CG1' ' A' ' 73' ' ' ILE . 2.1 mt -40.17 141.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -153.08 148.64 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.91 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 153.13 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -54.98 -55.53 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' CA ' HG21 ' A' ' 64' ' ' VAL . . . -85.98 16.14 44.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.91 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -119.91 126.02 49.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.373 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' VAL . 28.8 t -129.93 114.41 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 24.2 m95 -77.09 144.38 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 -100.02 1.85 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 132.82 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 0.705 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 99.3 p -88.69 170.61 10.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -135.22 156.63 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.7 mm? -119.47 154.17 34.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 43' ' ' LEU . 80.2 t -151.89 113.02 2.92 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.424 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.2 Cg_endo -75.04 138.59 23.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 47' ' ' GLY . 1.4 p -90.41 -155.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.713 ' N ' HG13 ' A' ' 46' ' ' VAL . . . -122.43 74.16 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.94 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.38 -12.69 2.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -84.27 164.93 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.73 . . . . 0.0 109.351 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -131.74 158.97 39.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.7 152.87 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -115.69 68.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 5.9 mt-30 -95.47 148.91 21.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.685 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -152.0 158.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.694 ' OE1' HD13 ' A' ' 9' ' ' LEU . 37.0 tp60 -126.53 144.31 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 26.3 p -139.02 -172.52 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.543 HG22 HD13 ' A' ' 91' ' ' ILE . 78.2 t -143.42 97.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.94 165.9 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -92.14 101.44 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.3 t0 53.75 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -151.91 24.44 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -37.93 18.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.533 HG21 ' CA ' ' A' ' 35' ' ' GLY . 69.9 t -109.94 135.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.66 176.53 20.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 66' ' ' THR . 8.8 t -76.41 47.57 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.28 -64.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -42.16 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -60.44 -47.06 87.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.665 ' HG3' HG21 ' A' ' 74' ' ' THR . 49.3 tt0 -56.19 -56.1 25.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.043 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.0 mm-40 -57.16 -16.02 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG2' ' CG1' ' A' ' 31' ' ' ILE . 1.7 tt0 -95.46 -46.73 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.816 HD12 HD13 ' A' ' 69' ' ' LEU . 56.1 mt -74.89 -59.01 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.665 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.6 p -66.76 -8.42 28.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.043 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -53.55 -20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.09 85.47 3.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -71.78 -4.6 28.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.09 19.1 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -153.73 -44.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 ' CG1' ' A' ' 12' ' ' VAL . 98.2 t -84.87 125.75 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -84.88 -38.06 19.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.8 m 179.98 118.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.464 ' HE2' HD11 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -90.63 150.88 21.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.077 . . . . 0.0 110.95 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.9 m-20 -153.84 -173.51 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 87' ' ' ALA . 7.5 p -106.29 150.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -104.0 -22.77 13.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 171.57 176.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.42 98.31 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' OG ' ' A' ' 6' ' ' SER . 33.3 t30 -151.36 173.81 14.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -77.67 171.03 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 6' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.686 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.637 ' HE2' HG12 ' A' ' 58' ' ' VAL . 1.2 mmmm . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 59' ' ' VAL . 1.4 p -151.36 157.28 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.829 ' HB3' HD12 ' A' ' 91' ' ' ILE . 4.4 t -129.23 103.83 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.594 HG22 ' CD1' ' A' ' 10' ' ' LEU . 3.3 mp -91.09 141.41 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 5.4 tp -114.44 106.18 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.774 HD21 HG23 ' A' ' 66' ' ' THR . 8.6 mp -87.38 153.84 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.96 100.07 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.752 ' CG1' HG13 ' A' ' 80' ' ' VAL . 20.2 t -105.95 145.62 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.55 136.46 20.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HG3' ' HE2' ' A' ' 21' ' ' MET . 18.3 Cg_endo -74.94 155.87 43.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -65.08 -31.81 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.71 176.72 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -21.24 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.79 -41.13 83.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.753 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -47.68 106.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -51.41 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.533 ' HE2' ' HG3' ' A' ' 14' ' ' PRO . 1.1 mtt -59.41 -41.52 89.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -59.66 -43.94 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -67.99 -41.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.753 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -61.87 -45.33 94.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' OE1' HD21 ' A' ' 43' ' ' LEU . 33.2 tt0 -75.08 -32.8 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 2.2 tt0 -69.07 -58.96 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.18 -54.59 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 24' ' ' LEU . 54.8 t -44.75 -73.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp180 -49.07 -28.88 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.923 HG21 ' CD2' ' A' ' 69' ' ' LEU . 33.0 mt -64.29 131.34 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.42 141.8 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.197 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.967 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -156.67 141.84 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.26 -54.96 20.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.25 28.3 6.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.076 HD11 HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -124.6 133.42 53.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -138.13 108.39 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 109.388 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.59 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 36.3 m95 -74.0 129.64 38.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.11 -61.18 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 82.6 p -87.67 163.75 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.984 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -133.4 162.33 32.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.475 HD21 ' OE1' ' A' ' 25' ' ' GLU . 2.1 mm? -121.99 148.45 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.5 t -144.82 101.76 4.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.5 31.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -96.41 -71.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.18 -79.95 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 85.7 t80 -171.6 82.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.75 -43.48 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.458 HG23 ' HG2' ' A' ' 14' ' ' PRO . 5.0 mp -114.37 153.82 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.777 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -137.55 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -85.43 125.52 33.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -88.08 70.58 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.52 ' O ' HG22 ' A' ' 55' ' ' ILE . 3.5 mt-30 -96.24 148.82 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.654 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -153.9 148.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -122.85 146.42 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.59 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -132.73 -165.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.637 HG12 ' HE2' ' A' ' 5' ' ' LYS . 50.1 t -150.03 68.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 8' ' ' ILE . 3.8 m -84.51 174.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 1.3 mm-40 -84.75 171.89 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.73 5.05 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.96 25.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.05 -77.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.02 165.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.59 -178.54 17.23 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.774 HG23 HD21 ' A' ' 10' ' ' LEU . 24.1 m -75.53 56.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 0.821 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.41 -40.75 95.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.076 HD11 HD11 ' A' ' 36' ' ' LEU . 19.5 mt -57.74 -52.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG3' HG21 ' A' ' 74' ' ' THR . 25.5 tt0 -53.54 -56.4 17.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.047 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 3.4 mm-40 -59.0 -13.94 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -95.75 -46.49 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.81 -57.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.456 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.2 p -67.57 -8.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.047 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -56.53 -20.49 20.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -100.57 91.55 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -78.26 -4.84 49.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -96.67 15.53 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -148.69 -44.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.752 HG13 ' CG1' ' A' ' 12' ' ' VAL . 37.9 t -84.36 126.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 9.9 tt0 -84.63 -38.63 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p 179.35 106.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.413 ' HB2' HG22 ' A' ' 74' ' ' THR . 0.7 OUTLIER -75.52 152.43 37.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -150.24 -173.35 4.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.25 134.98 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -96.57 -24.33 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 8' ' ' ILE . . . 175.58 162.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -154.49 92.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -154.76 -177.85 6.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.67 149.99 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.829 HD12 ' HB3' ' A' ' 7' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.764 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.699 ' HA ' HG22 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -153.77 169.53 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.736 ' HB2' HD13 ' A' ' 91' ' ' ILE . 35.6 t -142.39 148.53 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.409 HG12 ' CE2' ' A' ' 88' ' ' PHE . 1.8 mp -141.42 126.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 12.2 tp -95.12 137.66 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.7 HD21 ' CE ' ' A' ' 83' ' ' MET . 1.0 OUTLIER -124.33 160.21 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -147.27 97.59 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.861 ' CG1' HG13 ' A' ' 80' ' ' VAL . 58.6 t -102.0 150.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.78 139.5 21.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.695 ' HB3' HG21 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 160.91 39.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 3.1 m95 -74.33 -37.42 63.56 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.2 178.5 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.98 -34.11 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.9 -31.23 64.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.792 ' CG2' HD12 ' A' ' 24' ' ' LEU . 69.7 m -42.81 98.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 1.7 t0 -47.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.714 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.27 -33.36 73.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.083 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -68.97 -38.29 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -73.82 -52.44 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.792 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -53.96 -41.54 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.49 -43.76 54.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 22' ' ' ALA . 4.6 mm-40 -62.41 -59.16 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -58.68 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 108.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 24' ' ' LEU . 55.4 t -40.7 -50.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -48.33 69.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.05 -48.32 22.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 85.1 mt -40.82 130.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -137.52 146.03 43.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . . . -158.26 169.28 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.77 146.44 51.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.191 . . . . 0.0 109.24 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.79 21.41 4.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.732 ' CD2' HD21 ' A' ' 69' ' ' LEU . 42.3 tp -109.38 135.13 50.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' CG1' ' HB ' ' A' ' 58' ' ' VAL . 3.8 t -129.77 140.02 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 11.3 m95 -108.48 98.04 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.85 -115.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.4 134.61 36.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.6 p -87.73 169.94 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.66 150.82 44.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.4 mm? -119.84 152.73 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 43' ' ' LEU . 87.1 t -153.41 96.66 2.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.15 21.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.3 t -97.99 -55.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 173.54 -161.94 32.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 49.79 -90.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 0.749 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' HD13 ' A' ' 50' ' ' ILE . . . -166.69 27.78 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 17' ' ' ASP . 15.0 mm -113.37 165.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -147.6 163.38 36.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.765 ' O ' HD13 ' A' ' 43' ' ' LEU . 7.2 tttt -84.47 129.04 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.714 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -93.94 61.94 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.548 ' CD ' HD21 ' A' ' 9' ' ' LEU . 2.3 tt0 -93.0 139.3 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.591 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.28 162.78 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' OE1' ' C ' ' A' ' 8' ' ' ILE . 4.1 tp-100 -130.0 143.62 50.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -137.87 160.79 38.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.354 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' HB ' ' CG1' ' A' ' 37' ' ' VAL . 65.1 t -122.84 98.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.0 m -84.98 170.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -88.62 82.39 6.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 6' ' ' SER . 0.8 OUTLIER 58.96 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t70 -142.75 25.82 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -57.9 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.577 HG11 HD13 ' A' ' 36' ' ' LEU . 40.5 t -92.69 104.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.24 160.42 30.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -71.15 -8.66 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.452 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 ttp -59.89 -55.66 31.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.185 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 36' ' ' LEU . 59.3 mt -50.41 -41.34 52.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HG3' HG21 ' A' ' 74' ' ' THR . 29.5 tt0 -64.07 -52.59 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.031 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.9 OUTLIER -60.31 -13.92 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -99.38 -44.21 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.529 HG23 HG22 ' A' ' 28' ' ' VAL . 8.8 mt -74.25 -54.17 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.565 HG21 ' HG3' ' A' ' 70' ' ' GLU . 8.6 p -74.77 -2.2 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.031 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -61.2 -16.41 44.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.16 90.18 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.46 -8.66 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.43 13.79 16.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -149.09 -43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.861 HG13 ' CG1' ' A' ' 12' ' ' VAL . 39.3 t -84.06 125.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.377 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 31.8 tt0 -84.41 -38.79 19.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -179.49 112.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.7 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -85.18 151.65 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.27 -174.63 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.97 138.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -98.78 -27.22 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 167.6 169.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.397 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -153.46 102.5 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -154.03 172.19 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' CE ' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -73.89 143.77 45.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.736 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.775 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.77 ' CA ' HG22 ' A' ' 91' ' ' ILE . 15.7 t -142.42 168.36 19.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.088 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.775 ' C ' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -114.9 149.35 37.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.943 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 7' ' ' SER . 3.4 mp -153.16 119.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 10' ' ' LEU . 7.1 tp -102.06 145.12 29.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 9' ' ' LEU . 6.4 mp -129.67 155.12 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.42 88.57 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' HG3' ' A' ' 83' ' ' MET . 23.3 t -89.28 146.37 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -113.94 130.49 23.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.0 36.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -69.83 -35.09 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.026 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.51 -178.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.83 -21.83 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.56 -32.45 73.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.769 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.6 m -69.82 108.78 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' CB ' ' HG3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -61.63 128.27 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.481 ' HE1' HD23 ' A' ' 53' ' ' LEU . 11.0 mmm -84.76 -7.66 59.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.31 -36.02 22.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HG3' ' CB ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -82.75 -48.73 10.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -56.83 -38.62 72.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.2 -52.19 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.68 -57.53 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.63 -53.83 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.608 1.193 . . . . 0.0 108.383 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.573 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -46.87 -40.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -52.97 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -38.93 -45.43 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.057 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.687 HG21 HD23 ' A' ' 69' ' ' LEU . 7.4 mt -44.22 129.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -150.76 137.33 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 166.94 29.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.72 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.23 8.49 44.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 69' ' ' LEU . 30.7 tp -111.58 137.43 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.9 t -142.89 141.66 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 64.6 m95 -97.73 -176.27 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.56 -136.34 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.7 m -108.32 128.71 54.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 94.6 p -87.92 163.17 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -130.1 156.52 44.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.385 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.4 mm? -123.14 153.06 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 43' ' ' LEU . 92.2 t -152.61 100.12 2.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.15 18.73 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' O ' HG22 ' A' ' 46' ' ' VAL . 8.9 p -148.48 44.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 152.14 106.5 0.31 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -38.29 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.28 -46.31 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLY . 2.7 mp -94.47 158.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.02 163.32 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.601 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -84.96 137.13 33.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.683 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -101.4 64.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' CD ' HD21 ' A' ' 9' ' ' LEU . 9.6 tt0 -90.11 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -149.9 164.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.608 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -130.01 142.08 50.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 5.9 p -127.85 178.18 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 1.007 HG22 HD13 ' A' ' 91' ' ' ILE . 60.4 t -141.15 108.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.725 HG13 HD13 ' A' ' 8' ' ' ILE . 1.6 m -92.4 166.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.0 tt0 -97.41 109.38 22.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.7 t70 47.44 -92.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -146.47 24.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -38.03 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 36' ' ' LEU . 23.2 t -109.6 132.27 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.44 166.31 22.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.483 ' CG2' HD21 ' A' ' 10' ' ' LEU . 85.9 m -75.72 52.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.42 -54.37 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 1.6 ttp -72.58 -43.08 63.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 36' ' ' LEU . 4.3 mt -55.51 -41.74 73.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG3' HG21 ' A' ' 74' ' ' THR . 19.7 tt0 -61.96 -56.55 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.038 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 16.4 mt-10 -58.1 -13.99 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 68' ' ' MET . 4.4 mm-40 -97.46 -47.6 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.3 mt -72.9 -52.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.456 HG21 ' HG3' ' A' ' 70' ' ' GLU . 13.4 p -74.37 -1.01 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.038 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -67.04 -19.36 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.6 90.77 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 111.0 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.1 mt-10 -77.14 -4.38 44.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -97.41 14.45 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 61.3 m-85 -150.31 -44.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -84.62 123.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 8.3 tt0 -84.15 -40.55 18.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p 177.74 107.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.48 ' HG3' HG22 ' A' ' 12' ' ' VAL . 5.9 ttt -80.54 153.37 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 83' ' ' MET . 7.7 m-20 -147.06 -175.24 4.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 143.55 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -103.67 -27.29 12.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 167.08 175.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.7 98.07 2.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.587 1.179 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' SER . 53.4 m-20 -143.74 -175.63 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -74.49 164.23 26.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.007 HD13 HG22 ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.777 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 1.4 mmmm . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.614 ' HA ' HG22 ' A' ' 91' ' ' ILE . 16.1 t -155.95 167.67 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.775 ' HB2' HD13 ' A' ' 91' ' ' ILE . 2.4 t -128.36 142.53 51.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.452 HG22 ' HG ' ' A' ' 10' ' ' LEU . 5.3 mp -130.0 120.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 14.4 tp -100.82 98.47 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 83' ' ' MET . 1.6 mp -95.21 137.73 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -118.98 96.28 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.817 ' CG1' HG13 ' A' ' 80' ' ' VAL . 20.9 t -84.85 146.55 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -108.6 129.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HG3' ' CE ' ' A' ' 21' ' ' MET . 18.4 Cg_endo -75.06 146.77 32.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -55.96 -38.88 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.34 174.88 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.4 -29.61 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 15.4 pt-20 -57.15 -49.46 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.777 ' CG2' HD12 ' A' ' 24' ' ' LEU . 12.9 m -38.4 114.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 100.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HG3' ' A' ' 14' ' ' PRO . 56.4 mmm -69.04 -17.48 63.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.16 -37.32 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -77.71 -46.28 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.9 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -54.03 -39.05 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 2.8 tt0 -75.61 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 27' ' ' CYS . 3.3 pt-20 -50.92 -42.49 59.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 51.6 t -58.54 -53.49 57.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 108.282 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 24' ' ' LEU . 40.4 t -45.31 -60.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -50.74 -43.91 58.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -49.21 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 97.9 mt -44.54 133.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 164.09 26.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.883 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -169.51 62.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 36' ' ' LEU . 1.7 t70 40.87 -90.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . -76.54 38.2 1.44 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.883 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -113.57 109.14 18.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -103.05 136.29 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m95 -106.73 79.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -37.74 -60.96 1.16 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.563 1.165 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER 161.88 129.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.468 ' OG ' ' CG ' ' A' ' 25' ' ' GLU . 57.5 p -85.76 155.63 20.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 166.25 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 52' ' ' LYS . 1.4 mm? -117.83 151.59 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.66 99.51 6.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.69 19.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.26 -35.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.02 -122.17 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 25.2 p90 -139.11 97.42 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.26 -50.3 0.88 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.592 1.183 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.9 mp -96.04 163.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -152.54 163.96 38.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.533 ' O ' HD13 ' A' ' 43' ' ' LEU . 2.2 mttt -85.68 138.68 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.634 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.46 72.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 3.2 tt0 -100.0 144.77 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.579 HG13 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.29 149.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -115.89 144.09 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -148.55 152.54 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 91' ' ' ILE . 13.7 t -117.93 85.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.0 m -84.54 173.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.12 178.63 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.63 2.69 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -155.06 24.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -126.38 -78.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 65' ' ' GLY . 40.8 t -107.17 165.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 64' ' ' VAL . . . -131.34 -98.11 0.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.452 HG23 ' HE1' ' A' ' 83' ' ' MET . 0.9 OUTLIER -164.63 -40.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 5.4 p-10 -36.93 -46.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 9.2 ttp -63.6 -57.71 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.95 -42.6 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 74' ' ' THR . 3.2 tt0 -58.07 -54.43 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.957 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -67.25 -8.73 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 68' ' ' MET . 2.4 mm-40 -96.11 -53.69 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -73.78 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -60.21 -20.97 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.957 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -40.54 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -89.57 86.96 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -73.51 -4.56 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.55 16.6 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.68 -43.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.817 HG13 ' CG1' ' A' ' 12' ' ' VAL . 86.5 t -84.1 123.0 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.581 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.1 tt0 -84.33 -29.11 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.4 m 163.45 117.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.486 ' HE3' HD23 ' A' ' 10' ' ' LEU . 5.9 ttt -78.59 157.86 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.6 m-20 -149.42 -174.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.83 124.98 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -84.85 -21.57 29.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.192 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 173.64 145.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.13 88.25 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -143.73 -174.7 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -74.4 164.11 26.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.776 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HD2' HG12 ' A' ' 58' ' ' VAL . 17.3 mmtt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 31.9 t -145.87 161.95 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.625 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -107.43 143.68 35.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.74 HG22 ' CD1' ' A' ' 10' ' ' LEU . 5.0 mp -143.66 98.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 23.1 tp -86.34 125.87 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.74 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.9 mp -108.57 151.85 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.44 83.4 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.605 ' CG1' HG13 ' A' ' 80' ' ' VAL . 6.1 t -87.19 143.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -111.33 132.76 21.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.93 161.26 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -68.6 -31.76 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 108.052 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.41 -172.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -21.91 60.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.63 -38.37 80.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' MET . 24.2 m -46.6 108.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.27 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.219 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.474 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -58.47 -42.49 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -54.61 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.589 HD22 HD12 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -55.88 -41.76 74.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.96 -46.43 68.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.8 mm-40 -65.74 -63.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -42.16 -57.14 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.567 HG11 HG21 ' A' ' 55' ' ' ILE . 2.2 t -39.53 -45.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLU . 8.0 mtp180 -74.68 -44.56 49.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 p -49.91 -38.46 36.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' VAL . 92.2 mt -45.08 125.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -130.27 121.22 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.695 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -128.58 169.0 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.83 142.64 54.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 44.37 25.68 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.964 HD11 HD21 ' A' ' 69' ' ' LEU . 3.2 tt -106.31 127.99 53.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -117.51 143.4 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m95 -109.35 108.29 18.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.97 -134.28 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -112.57 134.3 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 99.3 p -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.89 156.15 49.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.3 mm? -121.23 149.45 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 43' ' ' LEU . 50.7 t -154.78 101.51 2.34 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.44 35.2 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.594 1.839 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.81 -92.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.172 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.71 90.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.31 -64.25 0.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.6 mp -94.81 162.57 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 0.81 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -153.57 159.28 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 148.79 26.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.589 HD12 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -109.45 74.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' CD ' HD21 ' A' ' 9' ' ' LEU . 7.6 tt0 -96.36 136.96 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.567 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.19 156.05 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.495 ' HB2' HD13 ' A' ' 9' ' ' LEU . 2.4 tp-100 -121.0 141.3 50.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 1.078 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -130.6 162.63 28.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.593 HG13 HD11 ' A' ' 91' ' ' ILE . 17.4 t -124.47 107.16 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.654 HG22 ' CD1' ' A' ' 8' ' ' ILE . 8.5 m -98.08 172.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.3 mm-40 -91.79 78.42 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' A' ' 62' ' ' ASP . 2.8 t70 59.31 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLU . 19.4 t0 -137.37 26.34 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -50.49 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 36' ' ' LEU . 97.2 t -106.95 123.12 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.24 164.8 15.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.672 ' CG2' HD21 ' A' ' 10' ' ' LEU . 20.0 m -75.05 -21.24 59.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 0.697 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.98 -59.32 1.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.413 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 1.7 ttp -58.26 -51.34 70.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.964 HD21 HD11 ' A' ' 36' ' ' LEU . 36.7 mt -52.15 -51.68 56.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 74' ' ' THR . 5.6 tt0 -54.5 -54.84 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.945 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 20.7 mm-40 -59.57 -14.2 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' OE1' ' CE ' ' A' ' 68' ' ' MET . 1.8 tt0 -95.89 -49.66 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 31' ' ' ILE . 8.8 mt -75.43 -65.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.461 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -54.11 -20.89 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.945 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -44.19 -31.28 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -88.83 89.33 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -75.71 -8.28 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -92.0 9.3 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 32.5 m-85 -142.05 -42.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.605 HG13 ' CG1' ' A' ' 12' ' ' VAL . 59.2 t -83.97 124.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 4.7 tt0 -85.01 -35.38 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 p 171.16 103.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.935 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.471 ' CG ' ' N ' ' A' ' 84' ' ' ASP . 8.8 ttt -75.2 158.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 111.059 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 83' ' ' MET . 1.9 m-20 -150.17 -175.82 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -108.64 134.08 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -95.43 -32.51 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 173.95 176.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.21 90.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -146.01 172.69 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -88.81 159.43 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 13.9 mmtp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.77 148.53 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.621 ' O ' HD13 ' A' ' 8' ' ' ILE . 3.3 t -88.06 148.15 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 7' ' ' SER . 11.6 mm -141.99 103.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 11.2 tp -107.55 101.78 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.923 HD21 HG21 ' A' ' 66' ' ' THR . 1.1 mt -99.72 138.4 36.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.45 101.19 7.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.857 HG13 HG13 ' A' ' 80' ' ' VAL . 84.8 t -89.5 154.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -113.64 128.37 25.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.03 136.32 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.566 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -45.6 -38.72 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 178.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.15 -23.74 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.58 -39.83 88.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.491 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -59.97 104.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.34 146.88 3.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.542 ' HE1' HD23 ' A' ' 53' ' ' LEU . 33.1 mmm -107.9 -10.39 15.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.79 -57.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 6.6 mttt -61.67 -44.75 96.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -57.08 -42.28 80.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.24 -56.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -55.85 -35.47 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -66.62 -52.5 44.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 55' ' ' ILE . 2.5 t -48.64 -39.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -75.03 -48.05 25.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -46.03 -42.98 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.509 HG21 ' CD2' ' A' ' 69' ' ' LEU . 67.5 mt -39.97 123.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -111.59 137.35 49.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.68 161.54 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -70.15 153.32 43.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.91 30.64 0.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 ' CD1' HD11 ' A' ' 69' ' ' LEU . 1.3 tp -106.36 131.76 53.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -126.74 109.41 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 7.9 m95 -80.62 105.87 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.25 -97.45 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -155.59 131.0 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -89.71 157.34 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -139.43 170.01 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.2 mm? -126.86 160.91 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' C ' ' A' ' 43' ' ' LEU . 81.1 t -154.32 115.82 2.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.28 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -90.87 -26.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' TYR . . . 167.75 74.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' GLY . 40.0 m-85 37.98 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.99 -83.25 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.2 mt -92.21 161.79 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -136.68 168.36 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' HD13 ' A' ' 43' ' ' LEU . 4.1 mttt -94.28 130.52 40.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.542 HD23 ' HE1' ' A' ' 21' ' ' MET . 0.2 OUTLIER -88.83 77.45 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.486 ' NE2' HD21 ' A' ' 9' ' ' LEU . 6.7 tt0 -104.75 145.08 30.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.737 HG21 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -149.15 155.43 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.409 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.82 144.12 50.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.53 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -146.2 161.62 39.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.616 HG13 HD11 ' A' ' 91' ' ' ILE . 10.0 t -119.92 76.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 64' ' ' VAL . 1.8 m -84.63 175.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.7 mm-40 -85.41 157.75 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 -0.04 57.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -141.62 24.78 2.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.88 -77.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 59' ' ' VAL . 1.9 t -85.6 150.2 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.44 11.57 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.067 . . . . 0.0 110.97 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.923 HG21 HD21 ' A' ' 10' ' ' LEU . 8.5 m 66.76 39.34 3.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -103.95 -57.21 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -41.66 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD11 ' CD1' ' A' ' 36' ' ' LEU . 72.4 mt -59.3 -37.82 78.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.592 ' HG3' HG21 ' A' ' 74' ' ' THR . 20.7 tt0 -65.91 -55.54 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.054 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 21.4 mt-10 -58.39 -14.97 8.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -46.05 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.431 ' CG1' ' CD1' ' A' ' 31' ' ' ILE . 16.6 mt -73.35 -55.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.592 HG21 ' HG3' ' A' ' 70' ' ' GLU . 11.8 p -71.46 -7.35 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.054 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -56.62 -21.02 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.393 1.058 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -96.3 85.16 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.37 -4.54 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.452 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -93.44 8.58 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 43.7 m-85 -144.19 -44.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.857 HG13 HG13 ' A' ' 12' ' ' VAL . 56.0 t -85.69 130.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.566 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -84.89 -35.7 22.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m 173.68 118.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.594 ' CE ' HD22 ' A' ' 10' ' ' LEU . 4.1 ttt -86.19 151.84 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 42.5 m-20 -147.26 -175.76 4.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.65 127.54 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -85.89 -18.24 33.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 168.24 161.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -143.29 90.18 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -153.58 -179.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 6.0 ttpp -90.91 163.64 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.616 HD11 HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.695 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.783 ' CA ' HG22 ' A' ' 91' ' ' ILE . 30.2 t -146.42 166.49 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.723 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -114.52 124.4 51.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mm -124.43 108.85 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 55' ' ' ILE . 34.4 tp -93.32 126.46 38.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 10.5 mp -106.44 149.96 26.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.92 93.33 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 80' ' ' VAL . 55.0 t -94.49 156.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -120.64 130.94 24.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.95 143.2 28.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -54.74 -32.81 60.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.3 175.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -30.3 3.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.34 -40.75 82.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.978 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.9 m -56.38 96.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.04 112.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 53' ' ' LEU . 53.3 mmm -70.81 -29.04 65.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.61 -35.75 79.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -44.66 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.978 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -62.54 -38.36 89.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.22 -35.21 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -75.58 -56.27 4.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 t -43.73 -53.05 6.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.55 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 11.6 t -51.32 -40.0 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -73.0 -41.68 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -50.14 -29.97 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.711 HG21 HD23 ' A' ' 69' ' ' LEU . 73.1 mt -58.43 127.96 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.84 123.07 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.18 156.99 47.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.75 125.98 25.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.04 32.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.057 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 69' ' ' LEU . 7.9 tp -91.25 134.38 34.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 38' ' ' TRP . 40.7 t -140.44 142.08 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 69.0 m95 -90.27 -174.72 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.38 -77.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.94 129.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.9 p -87.91 165.96 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -128.6 158.31 38.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.8 mm? -122.25 151.32 41.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 43' ' ' LEU . 72.7 t -151.75 100.33 2.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HB3' ' CE ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.99 141.8 27.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -88.81 -62.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.31 -93.39 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.566 1.167 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -155.77 87.66 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.79 -49.09 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.6 mp -103.29 161.74 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 45' ' ' PRO . 7.4 mttt -150.74 165.87 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 43' ' ' LEU . 6.5 tttt -84.77 155.21 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.59 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -116.05 61.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.472 ' CD ' HD21 ' A' ' 9' ' ' LEU . 4.4 tt0 -88.23 137.78 32.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -144.7 145.57 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.604 ' HB2' HD13 ' A' ' 9' ' ' LEU . 3.3 tp-100 -114.93 142.83 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 7.6 p -136.76 177.46 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.714 HG13 HG21 ' A' ' 91' ' ' ILE . 22.8 t -134.73 84.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.3 175.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 63' ' ' LYS . 3.0 mm-40 -83.95 170.16 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -134.37 24.34 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.16 -46.79 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 36' ' ' LEU . 55.1 t -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.92 174.18 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 66' ' ' THR . 26.1 m -75.82 51.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 0.722 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 2.3 tmm? -71.39 -47.1 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 36' ' ' LEU . 1.6 mt -54.28 -42.7 70.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CE ' ' A' ' 83' ' ' MET . 4.4 tt0 -59.15 -55.11 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.046 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 8.8 mt-10 -63.77 -9.78 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 68' ' ' MET . 5.5 mm-40 -97.92 -47.73 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.433 HG23 HG22 ' A' ' 28' ' ' VAL . 6.5 mt -71.14 -53.08 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 18.3 p -74.29 -2.55 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.046 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -65.16 -11.7 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.91 92.68 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.7 mt-10 -83.28 -5.77 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.544 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -99.66 19.9 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 25.2 m-85 -154.68 -43.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 12' ' ' VAL . 77.1 t -85.64 128.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 7.3 tt0 -84.72 -36.14 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.5 p 174.56 111.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 4.6 ttt -81.25 149.99 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 2.0 m-20 -152.3 -174.35 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.507 HG21 ' CD2' ' A' ' 88' ' ' PHE . 9.5 p -107.1 136.52 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.25 -26.48 18.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.18 164.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -142.11 98.47 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -154.3 172.18 18.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -78.3 172.74 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.783 HG22 ' CA ' ' A' ' 6' ' ' SER . 1.1 tt . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.739 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.518 ' HE2' HG12 ' A' ' 58' ' ' VAL . 7.1 mtmm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.651 ' HA ' HG22 ' A' ' 91' ' ' ILE . 13.2 t -135.6 170.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.702 ' HB2' HD13 ' A' ' 91' ' ' ILE . 10.3 t -130.69 128.51 41.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.055 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.628 HD13 ' O ' ' A' ' 7' ' ' SER . 25.1 mm -118.86 115.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 19.6 tp -92.02 106.05 18.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.615 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.5 mp -92.1 146.56 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -124.48 93.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 80' ' ' VAL . 59.5 t -91.57 149.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 tptt -113.64 132.92 22.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.02 146.64 32.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.589 1.836 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -56.94 -27.58 61.21 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.49 -171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -23.47 63.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.31 -39.43 89.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.793 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.1 m -62.44 97.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.75 154.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -38.36 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -62.0 2.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.71 -57.43 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.793 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER -48.06 -53.0 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -61.16 -57.77 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.7 mm-40 -50.86 -56.78 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -38.07 -68.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 108.338 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.935 HG22 HD12 ' A' ' 73' ' ' ILE . 40.2 t -39.35 -45.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 ttp180 -65.95 -51.45 58.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -38.65 -50.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 73' ' ' ILE . 3.0 mt -39.49 122.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -130.02 146.61 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.898 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -161.33 143.93 12.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.53 -54.92 22.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.29 28.35 6.29 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.953 HD21 HD21 ' A' ' 69' ' ' LEU . 9.5 tp -132.2 130.68 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.9 t -128.85 139.98 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 11.9 m95 -105.03 112.74 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -78.79 0.63 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.8 p -176.67 131.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.943 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 79.5 p -86.47 159.94 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' HD22 ' A' ' 43' ' ' LEU . 2.3 mtpp -131.3 158.68 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.8 mm? -121.49 148.4 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.472 HG23 ' C ' ' A' ' 43' ' ' LEU . 95.2 t -155.46 111.26 2.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 18.3 Cg_endo -74.94 134.1 17.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.8 -47.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.03 155.36 47.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -39.19 -50.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 0.741 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.88 24.79 3.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 14' ' ' PRO . 4.3 mp -115.72 162.67 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.8 mttt -130.03 165.9 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.607 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.2 ttpt -84.6 146.59 27.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -105.37 60.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -86.37 138.26 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.659 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -146.77 146.75 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 4.1 tp-100 -116.69 141.98 47.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.9 p -134.77 169.57 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.518 HG12 ' HE2' ' A' ' 5' ' ' LYS . 82.3 t -133.26 80.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 36' ' ' LEU . 10.1 m -84.11 176.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -81.72 -178.98 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 -50.7 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -139.34 25.41 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -33.75 6.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -149.04 131.48 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . . . -123.14 179.85 16.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.596 ' CG2' HD21 ' A' ' 10' ' ' LEU . 88.0 m -76.33 53.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -112.82 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -49.68 -39.83 37.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.953 HD21 HD21 ' A' ' 36' ' ' LEU . 11.0 mt -61.24 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.508 ' CG ' HG21 ' A' ' 74' ' ' THR . 21.4 tt0 -46.06 -57.49 4.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.054 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -49.41 -20.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.1 tt0 -98.83 -48.14 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.935 HD12 HG22 ' A' ' 28' ' ' VAL . 8.0 mm -64.98 -57.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.537 HG22 ' CB ' ' A' ' 83' ' ' MET . 51.6 p -69.42 -17.69 63.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.054 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -47.69 -27.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -93.32 97.19 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -86.92 -5.48 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.01 22.08 10.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 20.7 m-85 -154.99 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 12' ' ' VAL . 55.6 t -84.74 127.45 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 13.1 tt0 -84.69 -32.71 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 p 172.18 112.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.537 ' CB ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER -84.92 151.12 24.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.67 -172.73 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.3 t -112.31 133.4 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -92.43 -28.95 16.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.71 149.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.66 97.7 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -153.14 168.97 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 7.6 ttpp -77.16 163.91 26.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.763 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.815 ' HD2' HG12 ' A' ' 58' ' ' VAL . 20.7 mmtt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.641 ' CA ' HG22 ' A' ' 91' ' ' ILE . 33.3 t -154.82 166.31 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.853 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -115.1 130.38 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -137.88 119.58 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 55' ' ' ILE . 16.9 tp -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.695 HD22 ' SD ' ' A' ' 83' ' ' MET . 4.4 mt -121.28 146.66 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.54 105.65 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 80' ' ' VAL . 18.7 t -92.84 147.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.64 127.68 26.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.97 134.38 17.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 12.8 m95 -48.57 -30.29 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 18' ' ' GLU . 4.2 m-20 177.3 166.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -27.23 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 16' ' ' ASP . 20.4 pt-20 -57.94 -37.29 73.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.727 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.7 m -57.58 102.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.33 102.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.921 ' HE1' HD23 ' A' ' 53' ' ' LEU . 76.0 mmm -61.55 -34.74 76.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.32 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -45.7 49.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.21 -40.05 88.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.26 -45.82 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -65.05 -52.9 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 48.3 t -40.89 -63.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.612 HG11 HG21 ' A' ' 55' ' ' ILE . 2.2 t -39.79 -47.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.05 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -44.1 -28.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 29.6 mm -56.73 121.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -112.52 133.61 54.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.865 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 120.04 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.31 -49.09 9.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' HG21 ' A' ' 64' ' ' VAL . . . -87.93 33.48 3.99 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.865 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 12.4 tp -132.91 124.88 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 0.733 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -117.12 104.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 11.6 m95 -79.18 108.1 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.62 -108.65 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.47 131.48 36.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 0.711 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.2 p -90.57 155.03 19.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.051 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.67 154.72 36.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.8 mm? -120.87 153.76 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 43' ' ' LEU . 86.2 t -152.71 120.87 3.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -75.05 139.6 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' HG12 ' A' ' 46' ' ' VAL . 84.2 t -148.61 58.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.063 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.43 112.72 2.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -37.22 106.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.37 -41.51 2.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 4.3 mt -94.39 161.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -155.41 162.83 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.599 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -86.17 148.19 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.921 HD23 ' HE1' ' A' ' 21' ' ' MET . 0.2 OUTLIER -114.08 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.65 ' NE2' HD21 ' A' ' 9' ' ' LEU . 2.8 tt0 -104.92 141.13 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.782 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -144.71 159.43 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.667 ' NE2' HD13 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -135.18 141.47 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.589 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 8.4 p -148.0 -180.0 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.214 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 1.054 HG22 HD13 ' A' ' 91' ' ' ILE . 99.0 t -131.06 104.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 5' ' ' LYS . 4.0 m -84.46 173.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -92.12 74.4 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 t70 57.7 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 60' ' ' GLU . 8.6 t0 -135.98 25.38 3.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.15 -53.71 5.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 64' ' ' VAL . 2.5 t -106.04 98.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 165.16 43.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.418 HG21 HD21 ' A' ' 10' ' ' LEU . 1.2 m -75.27 -20.34 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.443 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -46.09 -51.69 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -42.27 94.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 11.9 mt -61.99 -40.24 94.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.627 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 29.1 tt0 -74.91 -25.33 58.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -73.91 -16.31 61.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.735 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 6.1 pt20 -116.37 -47.42 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 89.7 mt -56.72 -83.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 38.4 p -54.07 -18.44 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 72' ' ' GLN . . . -40.24 -29.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' THR . 1.4 m-85 -87.38 79.46 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 2.9 tt0 -70.35 -4.97 24.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -90.18 13.91 13.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 42.1 m-85 -155.44 -42.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG22 HG11 ' A' ' 12' ' ' VAL . 24.1 t -84.02 129.48 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 18.8 tt0 -86.69 -37.02 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m 167.3 119.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.695 ' SD ' HD22 ' A' ' 10' ' ' LEU . 51.8 ttp -81.04 151.9 28.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 151.59 44.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 88' ' ' PHE . 4.2 p -89.62 124.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 -22.96 27.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.18 162.08 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -149.79 87.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -155.09 -178.82 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.79 167.2 22.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.054 HD13 HG22 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.782 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HE2' HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.865 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -155.28 171.31 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.797 ' CB ' HD12 ' A' ' 91' ' ' ILE . 3.2 t -127.88 145.14 51.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.732 HD13 HG22 ' A' ' 59' ' ' VAL . 4.2 mp -132.99 123.55 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.859 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 16.3 tp -92.85 100.84 13.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.85 HD21 HG23 ' A' ' 66' ' ' THR . 7.8 mp -84.53 148.8 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 18.9 t0 -131.47 102.26 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.808 ' CG1' HG13 ' A' ' 80' ' ' VAL . 39.7 t -101.54 151.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.3 tttt -113.78 131.99 22.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.98 155.4 43.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -67.43 -22.6 65.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.34 170.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -27.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 23.5 pt-20 -59.04 -48.95 79.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.92 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.0 m -43.92 102.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.69 105.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 mtt -67.67 -22.62 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.62 55.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -45.62 33.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.92 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.52 -40.77 88.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 3.5 tt0 -75.22 -31.42 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -63.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -41.81 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.614 HG13 ' CH2' ' A' ' 38' ' ' TRP . 2.1 t -40.25 -47.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -41.7 79.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.7 p -52.5 -35.7 53.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 97.1 mt -50.31 126.77 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.51 157.25 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.18 131.05 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.06 64.28 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 69' ' ' LEU . 5.7 tp -101.36 124.66 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.14 134.21 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CH2' HG13 ' A' ' 28' ' ' VAL . 76.0 m95 -102.49 82.55 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.031 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -43.61 -53.94 5.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.452 1.095 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER 160.98 135.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.928 ' HB2' HG22 ' A' ' 55' ' ' ILE . 77.5 p -85.24 167.02 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -137.7 165.13 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.4 mm? -122.93 152.23 41.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 ' C ' ' A' ' 43' ' ' LEU . 84.4 t -154.25 99.63 2.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.45 25.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -102.47 -41.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.37 -128.99 2.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -130.06 88.01 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.95 -53.75 0.55 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.19 159.11 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -147.12 168.79 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.69 126.73 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -90.32 72.6 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 42' ' ' LYS . 2.4 mt-30 -96.88 137.11 36.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -136.77 161.42 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 58.5 tt0 -129.32 145.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 p -142.43 176.61 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 5' ' ' LYS . 77.6 t -134.96 74.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.903 HG12 HD12 ' A' ' 36' ' ' LEU . 33.2 m -85.56 175.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -84.44 171.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.31 4.47 15.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 18.3 t0 -155.88 25.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -125.73 -76.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.21 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.614 HG22 ' H ' ' A' ' 65' ' ' GLY . 3.6 p -119.15 177.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 64' ' ' VAL . . . -133.68 178.76 18.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.85 HG23 HD21 ' A' ' 10' ' ' LEU . 3.2 m -74.17 -22.27 59.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -38.0 -56.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 36' ' ' LEU . 11.3 mt -46.74 -65.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -45.09 -57.78 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.042 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.65 -24.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.44 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 7.4 tt0 -95.33 -40.39 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.1 mt -71.1 -67.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.487 ' HA ' HG21 ' A' ' 80' ' ' VAL . 2.9 t -58.59 -23.77 59.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.042 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -39.44 -30.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.78 69.75 9.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.65 -13.71 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.39 14.87 5.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.478 ' CD2' ' CD1' ' A' ' 76' ' ' PHE . 95.3 m-85 -151.77 -41.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.808 HG13 ' CG1' ' A' ' 12' ' ' VAL . 61.1 t -83.44 128.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -86.48 -31.17 21.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m 169.61 112.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.16 152.46 32.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.09 -173.17 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.84 134.26 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -93.36 -35.34 13.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.072 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.25 -177.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -154.68 110.85 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -138.05 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 0.4 OUTLIER -98.85 136.57 38.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.865 ' H ' ' HA ' ' A' ' 6' ' ' SER . 5.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.705 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 4.9 mmtp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.71 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 32.2 t -155.37 163.58 39.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.717 ' HB2' HD13 ' A' ' 91' ' ' ILE . 1.4 t -118.91 101.49 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.751 HG22 ' CD1' ' A' ' 10' ' ' LEU . 8.6 mm -86.31 107.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 55' ' ' ILE . 12.2 tp -96.05 117.73 31.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.751 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.3 mp -109.19 149.23 29.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.88 91.93 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.598 ' CG1' HG13 ' A' ' 80' ' ' VAL . 29.2 t -88.75 148.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 128.11 25.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 142.96 28.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.423 1.749 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -48.02 -34.08 8.9 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.63 -176.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -18.13 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -71.84 -32.64 67.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.669 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.2 m -64.06 105.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 110.6 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.516 ' SD ' HD23 ' A' ' 53' ' ' LEU . 36.3 mmm -72.99 -29.38 63.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.188 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.84 80.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -73.02 -49.92 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.669 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -57.51 -39.99 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -68.15 -63.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.6 mm-40 -54.36 -52.26 62.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 41.6 t -43.71 -58.46 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.407 HG22 HG12 ' A' ' 73' ' ' ILE . 2.1 t -47.9 -48.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -27.79 69.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.4 p -66.93 -9.33 37.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.922 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.692 HD12 ' HG2' ' A' ' 72' ' ' GLN . 18.3 mm -73.53 128.89 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.03 151.01 34.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -171.95 147.67 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.52 150.33 46.93 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.4 16.72 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.706 HD12 ' CG1' ' A' ' 59' ' ' VAL . 0.5 OUTLIER -102.41 138.36 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -138.73 97.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 12.9 m95 -65.17 102.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.042 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.82 -68.28 1.68 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.72 148.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 68.3 p -98.41 158.3 15.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.24 160.59 27.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.2 mm? -119.9 155.22 33.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG23 ' C ' ' A' ' 43' ' ' LEU . 93.1 t -154.04 101.05 2.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.62 22.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.76 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 47' ' ' GLY . 24.5 t -84.48 -85.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' HG12 ' A' ' 46' ' ' VAL . . . -146.66 -46.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -157.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.22 13.84 56.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mp -102.88 158.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 9.1 mtpt -137.82 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.2 tttt -87.92 143.69 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD23 ' SD ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -100.63 75.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.3 tt0 -97.49 142.89 28.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -147.89 152.44 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.4 tt0 -132.09 139.64 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.601 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -129.86 -170.77 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.746 HG13 HG21 ' A' ' 91' ' ' ILE . 57.1 t -153.5 73.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.706 ' CG1' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.17 174.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -82.06 172.76 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.34 8.76 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.69 25.83 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' CD ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -113.15 -89.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.694 ' O ' HG21 ' A' ' 59' ' ' VAL . 21.6 t -109.4 148.24 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.96 -82.59 1.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.105 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.505 ' OG1' HG21 ' A' ' 8' ' ' ILE . 1.1 m -170.86 -40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.813 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.22 -57.49 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -57.02 -60.26 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 72.1 mt -50.29 -32.02 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.681 ' HG3' HG21 ' A' ' 74' ' ' THR . 24.1 tt0 -72.37 -57.24 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.997 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -57.12 -16.64 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.692 ' HG2' HD12 ' A' ' 31' ' ' ILE . 1.7 tt0 -99.4 -43.32 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 63.8 mt -75.32 -60.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.681 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.8 p -67.17 -13.49 62.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.997 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -45.74 -26.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -89.04 79.0 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.05 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.96 -5.47 31.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.42 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 4.1 t70 -94.63 10.32 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 59.6 m-85 -145.31 -44.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.598 HG13 ' CG1' ' A' ' 12' ' ' VAL . 48.5 t -84.35 125.94 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.1 tt0 -84.91 -38.7 19.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.054 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.7 p -179.85 128.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.47 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 6.1 ttt -104.56 154.06 20.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 83' ' ' MET . 1.6 m-20 -147.09 -175.24 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.61 124.69 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -84.9 -25.78 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 164.9 161.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -143.41 85.0 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -129.4 169.18 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 136.9 34.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.746 HG21 HG13 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.777 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HE2' HG12 ' A' ' 58' ' ' VAL . 2.4 mmmm . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 91' ' ' ILE . 22.3 t -155.67 165.74 35.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.545 ' HB2' HD12 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -119.93 142.46 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.046 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.497 ' CD1' HG22 ' A' ' 59' ' ' VAL . 4.7 mp -139.91 116.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.604 HD21 ' OE1' ' A' ' 54' ' ' GLN . 22.6 tp -87.27 117.63 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD21 HG23 ' A' ' 66' ' ' THR . 6.5 mp -99.86 153.47 19.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.68 94.75 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 80' ' ' VAL . 31.0 t -85.17 147.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 122.32 34.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.02 133.65 16.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.428 1.751 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 27.9 m95 -43.11 -39.29 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.6 177.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -29.19 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.12 -43.12 73.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.785 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.2 m -56.63 99.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 142.43 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.85 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -100.48 -9.74 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.68 -30.5 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -86.74 -47.9 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.785 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.15 -37.99 75.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.1 -36.56 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.3 tt0 -72.58 -59.12 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLU . 20.8 t -41.64 -64.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.773 HG11 HG21 ' A' ' 55' ' ' ILE . 2.4 t -40.11 -39.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -75.44 -54.09 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ILE . 86.0 p -38.46 -46.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.792 HG21 HD23 ' A' ' 69' ' ' LEU . 87.0 mt -39.96 127.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.77 150.88 50.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.944 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -164.18 146.59 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.27 -52.91 63.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.53 26.14 8.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.944 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -121.75 124.51 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.374 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.77 99.66 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.607 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m95 -66.02 140.31 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 107.985 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.05 -94.79 2.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.54 134.76 15.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.067 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -97.83 157.76 15.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -134.76 163.84 28.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.9 mm? -121.49 159.59 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 43' ' ' LEU . 53.1 t -155.23 99.0 2.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.86 -32.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.14 -61.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 175.25 -34.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.55 -58.24 2.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.1 mp -92.82 161.11 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 19.9 mtmt -148.72 160.24 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -86.59 143.89 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.85 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -112.95 73.74 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.604 ' OE1' HD21 ' A' ' 9' ' ' LEU . 3.2 tt0 -100.93 141.42 33.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.773 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -150.09 157.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -121.76 142.76 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.607 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -132.31 -171.73 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 108.216 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.637 HG22 HD13 ' A' ' 91' ' ' ILE . 84.9 t -151.23 78.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.7 m -84.51 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -84.32 173.38 11.0 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.62 3.95 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -160.42 26.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -132.33 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.844 HG13 ' OD1' ' A' ' 67' ' ' ASP . 96.9 t -129.61 141.79 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 66' ' ' THR . . . -145.31 87.27 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.739 HG23 HD21 ' A' ' 10' ' ' LEU . 41.0 m 35.09 42.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.757 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.844 ' OD1' HG13 ' A' ' 64' ' ' VAL . 3.1 p-10 -101.03 -60.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.553 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 2.6 ttp -68.96 -47.52 65.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.792 HD23 HG21 ' A' ' 31' ' ' ILE . 21.0 mt -51.91 -31.83 30.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 74' ' ' THR . 13.2 tt0 -73.0 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.939 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -59.97 -11.15 5.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.553 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 2.8 mm-40 -102.2 -52.48 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.559 HG12 HG22 ' A' ' 28' ' ' VAL . 45.5 mt -67.82 -50.75 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 70' ' ' GLU . 3.2 p -78.2 4.65 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.939 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -73.7 -7.99 54.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.51 79.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -4.99 39.09 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.73 17.84 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -155.03 -43.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 12' ' ' VAL . 68.8 t -84.53 131.07 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 20.5 tt0 -84.95 -36.08 21.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 p 172.89 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 84' ' ' ASP . 6.4 ttp -79.98 149.23 30.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 83' ' ' MET . 3.7 m-20 -143.98 -175.67 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.22 126.13 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 -20.49 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.44 165.59 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.89 88.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -142.93 172.44 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.557 ' HG3' ' H ' ' A' ' 91' ' ' ILE . 11.9 tttt -74.95 164.42 26.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.637 HD13 HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.793 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 12.1 mmtp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 128.82 12.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.609 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.92 95.88 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.587 HG12 ' CD1' ' A' ' 88' ' ' PHE . 2.7 mp -84.82 142.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 56' ' ' GLN . 43.4 tp -117.03 99.56 7.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.645 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -89.42 129.83 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -103.18 97.28 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.675 HG13 HG13 ' A' ' 80' ' ' VAL . 60.1 t -84.95 151.1 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 127.12 25.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 144.35 29.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 4.7 m95 -58.14 -27.84 64.14 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -178.47 -176.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -21.29 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -23.59 66.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.657 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.5 m -66.37 109.74 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.88 95.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 53' ' ' LEU . 28.5 mmm -62.41 -30.38 71.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.09 79.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.42 20.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.657 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -56.13 -41.3 75.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.27 -47.58 49.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -61.72 -61.24 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -47.37 -47.82 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.579 HG11 HG21 ' A' ' 55' ' ' ILE . 1.3 t -44.66 -44.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -44.05 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -49.17 -24.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 72' ' ' GLN . 56.6 mt -54.86 128.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 138.79 47.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.78 155.52 25.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 132.7 50.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.51 8.17 59.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.993 HD12 HG12 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -102.14 116.94 33.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 135.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.487 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 24.7 m95 -94.16 121.22 35.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.0 -91.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.98 130.34 11.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 90.4 p -88.5 161.61 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.46 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -128.73 154.97 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.5 mm? -124.15 148.61 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' LYS . 1.8 t -151.3 134.98 9.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.93 138.63 23.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' PRO . 6.1 t -154.4 126.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.9 -147.4 29.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 107.29 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.13 -0.13 84.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mt -102.42 162.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -144.96 168.32 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.698 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -93.46 135.66 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.631 HD23 ' SD ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -102.74 68.63 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.243 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.618 ' OE1' HD21 ' A' ' 9' ' ' LEU . 12.6 tt0 -97.1 140.63 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.785 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -150.56 152.05 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.84 ' HB2' HD13 ' A' ' 9' ' ' LEU . 33.4 tt0 -116.94 141.73 47.85 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 1.063 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.487 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -116.63 -166.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 58' ' ' VAL . 94.6 t -151.39 59.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.993 HG12 HD12 ' A' ' 36' ' ' LEU . 2.2 m -83.98 163.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -81.94 4.76 21.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.55 25.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 -92.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 65' ' ' GLY . 71.8 t -108.58 165.62 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.504 ' N ' HG12 ' A' ' 64' ' ' VAL . . . -135.04 -162.08 9.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.467 HG23 ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -74.97 -30.67 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -39.18 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -39.35 -56.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -49.83 -58.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.685 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 53.4 tt0 -50.71 -52.18 42.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.858 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -65.38 -9.78 27.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' HD13 ' A' ' 31' ' ' ILE . 1.6 tt0 -97.83 -50.97 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.79 -63.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -54.81 -23.87 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.06 82.09 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 5.2 mm-40 -69.89 -9.57 55.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.22 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.37 10.13 23.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -147.62 -41.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.675 HG13 HG13 ' A' ' 12' ' ' VAL . 61.7 t -83.37 127.9 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 27.3 tt0 -84.84 -35.01 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 p 168.57 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.685 ' HE1' ' HB2' ' A' ' 70' ' ' GLU . 24.0 ttp -77.11 150.72 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 83' ' ' MET . 0.8 OUTLIER -142.42 -174.97 4.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.634 1.209 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.37 137.86 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.203 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -110.7 -20.44 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -176.29 145.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.587 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -155.46 85.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -155.73 -177.54 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 140.82 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.609 HD12 ' CB ' ' A' ' 7' ' ' SER . 34.6 mt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.778 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HE2' HG12 ' A' ' 58' ' ' VAL . 1.1 mmmm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.718 ' HA ' HG22 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -157.39 172.19 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.542 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -117.04 147.37 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.543 HG22 ' CD1' ' A' ' 10' ' ' LEU . 3.1 mp -144.93 129.08 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 55' ' ' ILE . 18.7 tp -102.95 111.21 23.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.961 HD21 HG23 ' A' ' 66' ' ' THR . 5.4 mp -101.54 141.49 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.76 107.91 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.591 HG12 ' CG1' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -108.13 129.34 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.9 tttt -88.89 137.54 29.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.92 143.14 28.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -54.53 -21.88 11.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER 163.09 166.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' A' ' 16' ' ' ASP . 0.5 OUTLIER -40.83 -31.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' ASP . 11.4 pt-20 -56.98 -51.0 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.9 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -39.98 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.24 99.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.638 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.4 mtp -66.13 -18.36 65.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.59 50.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -37.04 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.9 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -67.38 -41.12 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -52.2 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -58.31 -55.72 31.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.7 t -48.39 -53.54 17.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -48.01 -38.12 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -34.98 62.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 p -69.23 -26.94 65.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.776 HD12 ' HG2' ' A' ' 72' ' ' GLN . 22.1 mm -44.5 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.061 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 139.83 51.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.511 ' N ' HD23 ' A' ' 36' ' ' LEU . . . -159.79 167.47 28.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -76.74 140.26 40.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.22 16.88 36.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.051 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.629 HD13 HD11 ' A' ' 69' ' ' LEU . 8.1 tp -93.88 142.29 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.757 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.53 114.45 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 17.8 m95 -84.29 123.0 29.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 107.996 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 -80.9 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -164.72 134.85 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -91.54 155.1 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 153.5 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.7 mm? -114.67 160.69 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' LEU . 2.7 t -153.72 100.43 2.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.47 23.04 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.35 -70.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 48' ' ' TYR . . . -173.92 174.82 46.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 2.5 t80 68.61 -63.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.784 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.04 40.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.421 HG23 ' HG2' ' A' ' 14' ' ' PRO . 12.6 mt -129.58 157.16 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' HB3' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.28 169.45 17.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 125.51 37.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.638 HD23 ' HE2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -85.01 63.34 8.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.69 137.07 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.598 HG21 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -147.29 156.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 7.2 tm0? -122.82 144.03 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 1.067 . . . . 0.0 110.39 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -147.19 155.18 41.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 91' ' ' ILE . 21.7 t -108.83 77.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 69' ' ' LEU . 2.2 m -84.03 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -84.27 172.61 11.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.3 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.57 5.15 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.428 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 5.0 t70 -91.02 -67.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.86 -24.45 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 60' ' ' GLU . 21.7 t -83.97 151.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.51 170.56 37.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.961 HG23 HD21 ' A' ' 10' ' ' LEU . 1.6 m -72.92 -26.14 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -72.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -65.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.629 HD11 HD13 ' A' ' 36' ' ' LEU . 41.1 mt -44.51 -47.17 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.615 ' HG3' HG21 ' A' ' 74' ' ' THR . 14.8 tt0 -61.41 -50.34 73.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.999 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.5 mm-40 -59.06 -14.3 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.776 ' HG2' HD12 ' A' ' 31' ' ' ILE . 2.1 tt0 -101.26 -49.25 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.84 -56.46 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.615 HG21 ' HG3' ' A' ' 70' ' ' GLU . 9.6 p -72.22 -6.19 41.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.999 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -60.12 -20.31 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.0 85.3 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 8.8 mt-10 -79.71 -4.21 50.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.68 12.63 24.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -149.34 -43.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' HG12 ' A' ' 12' ' ' VAL . 97.7 t -84.27 128.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.574 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.3 tt0 -84.55 -35.97 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -176.97 131.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.478 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 1.3 tmt? -104.36 151.83 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.92 -173.16 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.8 131.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -93.79 -20.53 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.79 161.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.68 89.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -143.87 -176.15 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.1 146.79 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.955 HD13 HG22 ' A' ' 58' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.772 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 34.1 t -154.78 166.91 31.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.445 1.091 . . . . 0.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.778 ' C ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -114.56 147.1 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.97 HD13 HG13 ' A' ' 59' ' ' VAL . 4.8 mp -145.0 101.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 54' ' ' GLN . 8.7 tp -85.99 131.89 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.771 HD21 ' CG2' ' A' ' 66' ' ' THR . 9.6 mp -120.71 153.01 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.81 127.38 26.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.772 HG13 HG13 ' A' ' 80' ' ' VAL . 68.7 t -120.45 150.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 125.69 29.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.77 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 20.2 m95 -48.72 -35.5 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -167.23 -175.99 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -21.5 66.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.09 -37.52 85.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.864 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.8 m -49.93 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -46.12 128.11 9.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.796 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -79.48 -32.75 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -62.2 -45.59 92.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -53.12 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.864 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.44 -39.95 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -75.3 -40.13 58.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' ALA . 2.5 tt0 -67.45 -54.13 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 49.7 t -40.99 -56.42 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.913 HG22 HG12 ' A' ' 73' ' ' ILE . 21.0 t -50.2 -68.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -44.85 -49.35 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -41.12 -31.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.451 HD11 HG13 ' A' ' 73' ' ' ILE . 44.6 mt -55.95 119.35 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.75 143.7 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.951 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -163.3 129.27 3.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -46.51 -47.92 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' C ' HG21 ' A' ' 64' ' ' VAL . . . -89.67 24.56 14.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.409 1.068 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.951 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 2.0 tp -122.35 118.75 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -115.57 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.587 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 3.1 m95 -60.66 137.39 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.66 -117.91 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.614 1.197 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.9 p -129.92 131.27 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 7.6 p -89.89 159.86 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -127.01 154.02 45.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 mm? -119.17 155.45 31.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' LYS . 3.0 t -151.42 116.56 3.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 155.7 43.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 47' ' ' GLY . 47.2 t -133.69 168.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' HG12 ' A' ' 46' ' ' VAL . . . -60.27 168.86 8.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 68.73 -64.71 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 159.45 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.6 mt -114.32 163.66 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 5.0 mtpt -139.41 159.14 42.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 ttmt -93.39 148.38 22.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.796 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -108.63 69.61 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' A' ' 9' ' ' LEU . 10.7 tt0 -93.23 139.33 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.636 HG13 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -146.1 160.24 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.484 ' NE2' HD13 ' A' ' 9' ' ' LEU . 1.9 tp-100 -126.65 141.72 51.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.587 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -133.76 160.18 38.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.287 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' SER . 48.6 t -124.84 108.93 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.97 HG13 HD13 ' A' ' 8' ' ' ILE . 1.4 m -100.04 170.97 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.185 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' ASP . 4.2 mm-40 -84.23 72.11 10.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.28 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . 13.1 t70 -155.13 27.64 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 15.5 tttt -82.38 -57.08 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 35' ' ' GLY . 6.4 t -96.4 116.84 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.58 167.88 22.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.771 ' CG2' HD21 ' A' ' 10' ' ' LEU . 1.2 m -75.73 -0.51 21.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 0.792 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -59.07 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -59.97 -56.94 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 36' ' ' LEU . 1.4 mp -51.6 -50.67 59.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.583 ' HG3' HG21 ' A' ' 74' ' ' THR . 22.2 tt0 -56.14 -51.18 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 1.042 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -58.18 -15.84 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -99.69 -46.12 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.913 HG12 HG22 ' A' ' 28' ' ' VAL . 6.2 mt -69.6 -53.13 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.583 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.1 p -75.11 -1.71 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.042 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -70.15 -12.22 61.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.3 95.55 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -87.83 -5.72 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 p-10 -95.15 16.05 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 43.8 m-85 -153.2 -44.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.772 HG13 HG13 ' A' ' 12' ' ' VAL . 71.8 t -84.75 129.65 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 21.1 tt0 -84.93 -36.16 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m 174.46 115.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.488 ' CB ' HG22 ' A' ' 74' ' ' THR . 1.1 tmt? -87.2 152.06 22.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -147.84 -173.68 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.85 143.96 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -102.92 -29.0 11.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 170.77 173.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 92.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -148.84 172.41 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 91' ' ' ILE . 18.5 tttm -82.34 165.23 20.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.484 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.763 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -138.32 102.45 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 38.99 61.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HD2' HG12 ' A' ' 58' ' ' VAL . 7.9 mmtp -132.33 173.14 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.466 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.1 t -155.42 166.71 32.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.806 ' HB2' HD12 ' A' ' 91' ' ' ILE . 1.2 t -123.96 128.58 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mt -133.55 116.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD13 ' NE2' ' A' ' 56' ' ' GLN . 16.1 tp -94.37 130.57 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD21 HG23 ' A' ' 66' ' ' THR . 3.7 mp -113.87 157.36 22.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.96 123.37 13.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.713 ' CG1' HG13 ' A' ' 80' ' ' VAL . 36.6 t -127.81 148.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 tttt -108.69 131.37 21.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.01 148.21 34.94 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.587 1.835 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -54.86 -34.8 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -179.6 179.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -25.84 50.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.41 -38.2 79.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.868 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.0 m -52.74 102.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.17 102.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -63.49 -34.43 77.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.28 79.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -44.9 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.96 -44.84 96.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.648 ' OE1' HD21 ' A' ' 43' ' ' LEU . 3.8 tp10 -68.68 -34.43 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 tt0 -75.51 -61.21 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 43.0 t -40.98 -53.81 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 24' ' ' LEU . 49.1 t -45.63 -45.9 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -70.86 -53.16 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 p -38.76 -47.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 77.7 mt -41.86 131.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.13 151.74 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -160.15 167.47 27.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.56 125.72 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.48 10.51 70.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 HG11 ' A' ' 64' ' ' VAL . 7.7 tt -94.93 122.16 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.3 t -113.46 133.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m95 -104.17 118.11 35.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.05 -147.99 23.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -95.86 141.91 28.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 0.708 . . . . 0.0 109.964 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 83.5 p -96.72 163.93 12.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' O ' HD22 ' A' ' 43' ' ' LEU . 4.3 mtpt -127.9 159.67 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD21 ' OE1' ' A' ' 25' ' ' GLU . 3.7 mm? -125.1 147.67 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 t -143.71 103.58 4.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.2 Cg_endo -75.03 137.62 21.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.95 -16.54 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.45 55.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.49 164.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.769 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 -59.33 1.69 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.44 158.58 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 45' ' ' PRO . 2.9 mttt -151.9 164.71 36.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.617 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -85.86 146.12 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.732 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -102.45 66.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -90.9 137.79 32.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.595 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.72 153.2 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.71 ' NE2' HD13 ' A' ' 9' ' ' LEU . 6.1 tp-100 -115.83 144.33 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.1 p -137.05 161.21 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG22 ' CD1' ' A' ' 91' ' ' ILE . 52.4 t -127.65 95.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.5 HG11 ' O ' ' A' ' 64' ' ' VAL . 16.0 m -84.82 169.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -91.32 78.27 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 62.77 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -142.07 26.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -56.77 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.705 HG11 HD12 ' A' ' 36' ' ' LEU . 45.6 t -98.49 112.16 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.88 161.7 22.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.636 HG23 HD21 ' A' ' 10' ' ' LEU . 1.1 m -75.44 -21.24 58.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.417 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.15 -53.66 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.414 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 1.8 tmm? -64.96 -54.88 23.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 36' ' ' LEU . 5.8 mt -49.47 -44.44 45.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.634 ' HG3' HG21 ' A' ' 74' ' ' THR . 16.0 tt0 -62.13 -53.88 49.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.04 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 33.8 mt-10 -59.11 -13.59 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 2.1 mm-40 -99.62 -47.35 5.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 28' ' ' VAL . 11.7 mt -72.95 -53.62 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 70' ' ' GLU . 6.3 p -75.29 -0.65 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.04 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -63.22 -14.9 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.88 91.63 4.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -74.74 -4.81 39.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.474 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 t70 -99.0 17.71 19.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 76.8 m-85 -151.19 -45.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 ' CG1' ' A' ' 12' ' ' VAL . 36.3 t -84.27 123.17 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 5.5 tt0 -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -178.69 112.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.63 152.19 25.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.01 -174.6 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.58 139.42 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -98.0 -25.4 14.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.402 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 171.86 173.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.12 97.19 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -153.23 -178.41 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -75.06 170.31 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.806 HD12 ' HB2' ' A' ' 7' ' ' SER . 4.5 tt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.61 75.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -152.53 174.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 70.1 83.37 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 60' ' ' GLU . 2.4 mmmm -106.5 171.24 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.785 ' HA ' HG22 ' A' ' 91' ' ' ILE . 30.4 t -153.05 170.86 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.73 ' HB2' HD13 ' A' ' 91' ' ' ILE . 26.4 t -130.47 151.1 51.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.03 120.42 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.686 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 15.8 tp -90.52 116.45 28.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.95 163.45 13.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 5.0 t0 -150.12 89.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.706 HG13 HG13 ' A' ' 80' ' ' VAL . 75.1 t -94.08 155.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -115.15 136.12 22.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 151.99 40.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -62.29 -24.77 67.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.09 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -15.35 42.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.59 -34.26 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.632 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.3 m -67.23 88.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -40.1 122.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.687 ' HE1' HD23 ' A' ' 53' ' ' LEU . 49.9 mmm -76.55 -30.59 57.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.72 81.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -66.67 -51.2 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.853 HD13 ' HG ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.15 -41.08 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.19 -59.62 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.49 -54.97 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' SER . 12.2 t -42.13 -58.42 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.554 HG22 HG12 ' A' ' 73' ' ' ILE . 3.1 t -43.39 -52.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -32.42 73.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.3 p -64.65 -24.68 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 72' ' ' GLN . 9.7 mm -65.72 129.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -124.0 164.64 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.15 158.35 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.12 147.87 52.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.61 21.48 4.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.021 HD11 ' CD1' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.2 127.27 52.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -129.77 114.3 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 23.3 m95 -72.81 -176.9 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.6 -97.91 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.4 m -154.43 133.86 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 109.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 78.5 p -92.69 158.78 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.32 158.81 33.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 51' ' ' LYS . 1.8 mm? -118.38 154.28 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 43' ' ' LEU . 5.1 t -152.7 104.07 2.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 136.14 20.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.62 -74.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.16 154.83 26.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.5 -161.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 0.812 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 49.45 4.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.7 mt -126.89 160.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.408 0.71 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' HD12 ' A' ' 43' ' ' LEU . 1.9 mptt -151.05 166.89 29.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' HD13 ' A' ' 43' ' ' LEU . 2.2 mttt -87.25 129.49 34.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.853 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.17 68.73 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.565 ' NE2' HD21 ' A' ' 9' ' ' LEU . 2.6 tt0 -94.47 141.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.467 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -146.01 160.57 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -130.37 143.27 50.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 2.7 p -139.38 174.81 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.754 HG13 HG21 ' A' ' 91' ' ' ILE . 97.5 t -134.12 86.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.487 ' HB ' HG12 ' A' ' 64' ' ' VAL . 1.5 m -84.77 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 2.1 mp0 -83.05 -172.71 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.94 -57.59 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.36 24.77 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -38.99 7.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.743 HG11 HD12 ' A' ' 36' ' ' LEU . 53.4 t -140.3 147.77 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.76 -104.41 1.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 66' ' ' THR . 2.7 m -162.9 27.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.441 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.71 -43.47 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.555 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 3.2 ttp -75.38 -51.74 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.021 ' CD1' HD11 ' A' ' 36' ' ' LEU . 74.7 mt -53.42 -29.51 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 74' ' ' THR . 27.6 tt0 -74.92 -57.43 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.069 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 5.3 pt-20 -58.31 -13.33 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.635 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.6 mm-40 -96.44 -45.6 6.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 69' ' ' LEU . 13.5 mt -75.51 -53.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.43 HG21 ' HG3' ' A' ' 70' ' ' GLU . 19.6 p -70.16 -14.5 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.069 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -49.55 -25.64 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.91 84.92 5.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -4.64 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' HD1' HG23 ' A' ' 19' ' ' THR . 36.6 m-85 -151.8 -44.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.706 HG13 HG13 ' A' ' 12' ' ' VAL . 62.3 t -84.58 127.04 40.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.548 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.9 tt0 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -179.93 115.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -86.23 151.83 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.36 -173.7 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -108.15 144.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -107.55 -21.02 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 176.01 167.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.12 97.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' OG ' ' A' ' 6' ' ' SER . 43.2 m-80 -150.95 178.27 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 5.9 ttpm? -78.64 165.04 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.525 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.752 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.724 HD11 ' H ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -99.71 159.34 15.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.708 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -108.16 179.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 84.5 123.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 7.2 mmtp -117.3 173.0 6.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.215 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.668 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.8 t -155.02 167.72 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.091 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.706 ' HB3' HD12 ' A' ' 91' ' ' ILE . 27.6 t -127.95 150.17 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.637 HD12 ' C ' ' A' ' 7' ' ' SER . 4.3 mp -137.77 119.13 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.702 HD21 ' NE2' ' A' ' 54' ' ' GLN . 12.6 tp -84.53 108.63 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 66' ' ' THR . 9.8 mp -84.84 150.86 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 97.06 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG13 HG13 ' A' ' 80' ' ' VAL . 70.9 t -100.9 156.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.52 128.34 24.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.75 19.56 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 2.0 m95 -44.37 -37.9 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -175.16 -171.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -25.8 68.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.08 -40.39 89.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.872 ' CG2' HD12 ' A' ' 24' ' ' LEU . 31.2 m -50.56 101.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.74 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.758 ' HE2' HD23 ' A' ' 53' ' ' LEU . 6.6 mtp -56.47 -33.87 66.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.42 85.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -77.16 -50.07 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.872 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.16 -36.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.03 -62.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 20.6 mm-40 -53.26 -51.75 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -43.98 -54.3 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.588 HG13 ' CH2' ' A' ' 38' ' ' TRP . 24.7 t -52.19 -39.06 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 23.1 mtt180 -70.71 -55.94 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 p -46.4 -40.82 12.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 62.4 mt -50.34 129.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -135.32 167.42 21.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.77 165.46 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.02 138.72 54.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.72 14.62 23.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.768 HD11 ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -101.2 130.61 47.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -129.85 126.04 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CH2' HG13 ' A' ' 28' ' ' VAL . 19.4 m95 -90.94 125.52 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.96 -142.39 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.157 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.32 126.65 52.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 55' ' ' ILE . 78.1 p -84.65 168.89 14.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -132.75 157.82 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.1 mm? -122.56 149.64 43.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 43' ' ' LEU . 65.6 t -155.17 116.42 2.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 140.51 25.43 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 47' ' ' GLY . 4.5 p -139.52 179.43 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.69 ' H ' HG22 ' A' ' 46' ' ' VAL . . . 38.64 -122.51 1.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 20.8 p90 -145.58 104.75 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.54 -26.14 21.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.4 mp -87.14 162.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -139.48 166.33 24.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -92.56 141.15 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.758 HD23 ' HE2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -103.28 71.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' A' ' 9' ' ' LEU . 1.5 tt0 -93.84 140.0 30.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -144.48 166.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -129.42 144.88 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' SER . 1.4 p -135.88 162.96 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.45 84.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.9 m -84.72 175.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.52 -173.27 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.724 ' H ' HD11 ' A' ' 2' ' ' LEU . 2.2 t0 -132.25 17.64 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.87 -62.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG13 ' HB ' ' A' ' 59' ' ' VAL . 8.1 p -134.9 146.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.44 -175.96 14.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 66' ' ' THR . 6.1 m -73.51 57.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -61.92 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.64 -42.5 95.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.768 ' HG ' HD11 ' A' ' 36' ' ' LEU . 14.1 mt -57.93 -44.0 86.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.576 ' HG3' HG21 ' A' ' 74' ' ' THR . 21.3 tt0 -61.81 -57.55 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.035 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 2.2 mm-40 -57.53 -13.77 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 -48.46 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.7 mt -72.8 -53.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.576 HG21 ' HG3' ' A' ' 70' ' ' GLU . 11.0 p -72.97 -2.49 21.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.035 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -64.67 -13.0 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.72 89.8 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -4.74 56.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.2 t70 -96.34 14.18 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 49.0 m-85 -147.71 -44.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 HG13 ' A' ' 12' ' ' VAL . 77.8 t -84.86 131.56 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.556 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 3.3 tt0 -85.89 -34.66 20.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 173.43 114.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 83' ' ' MET . 1.1 tmt? -87.54 151.36 23.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -154.37 -172.91 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.498 HG21 ' HD2' ' A' ' 88' ' ' PHE . 7.6 p -107.56 139.98 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -98.2 -24.65 15.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 177.51 171.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' HD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -148.95 101.77 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -142.45 164.85 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 146.52 28.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' A' ' 7' ' ' SER . 7.1 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.733 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.44 -174.89 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -141.8 172.89 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 76.06 111.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 5.9 mmtp -99.13 173.66 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.755 ' CA ' HG22 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -151.78 169.48 22.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.714 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -114.94 143.41 45.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 7' ' ' SER . 8.6 mm -142.12 115.19 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.0 tp -95.43 119.42 33.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.864 HD21 HG23 ' A' ' 66' ' ' THR . 10.3 mp -102.0 151.62 21.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.46 101.54 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.705 ' CG1' HG13 ' A' ' 80' ' ' VAL . 3.6 t -99.37 142.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.61 122.75 39.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' HB3' HG21 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 139.93 24.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.7 m95 -42.72 -39.59 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 107.962 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.88 -170.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -22.59 67.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' THR . 8.6 pt-20 -62.2 -34.83 77.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.817 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.75 98.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.4 mmm -65.71 -45.82 81.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.42 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -48.5 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.817 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.25 -49.18 78.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.44 -57.34 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.21 -61.14 2.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' SER . 42.2 t -43.96 -54.36 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 24' ' ' LEU . 4.3 t -41.93 -48.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.42 75.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' CYS . 5.8 p -56.78 -27.91 60.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.79 HD12 ' HG2' ' A' ' 72' ' ' GLN . 41.1 mm -52.66 121.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.78 144.12 44.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.77 162.02 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.29 143.47 50.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.18 21.32 11.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -109.5 129.21 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.81 128.16 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 32.9 m95 -93.97 112.91 24.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 108.06 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.46 -77.6 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 141.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 p -102.16 153.58 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 164.82 27.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.7 mm? -117.06 151.99 35.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.5 t -149.32 101.42 3.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.94 138.17 22.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.18 -62.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 48' ' ' TYR . . . -99.61 -60.51 0.85 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.1 -38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.03 -56.96 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.3 mp -85.94 163.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.24 161.08 38.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.09 137.72 32.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.623 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -96.21 81.3 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -107.58 138.67 43.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.648 HG21 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.1 145.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.391 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.584 ' OE1' HD13 ' A' ' 9' ' ' LEU . 60.0 tp60 -109.75 143.86 38.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -137.8 161.43 36.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG22 HD13 ' A' ' 91' ' ' ILE . 49.4 t -117.74 80.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 m -84.54 175.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -84.16 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 -46.78 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.51 26.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -96.05 -70.04 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.96 144.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.98 161.48 12.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.864 HG23 HD21 ' A' ' 10' ' ' LEU . 1.3 m -75.07 -21.63 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.45 -56.1 3.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -40.32 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 36' ' ' LEU . 24.4 mt -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 74' ' ' THR . 24.1 tt0 -66.67 -44.08 82.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 5.4 pt-20 -74.97 -1.44 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.79 ' HG2' HD12 ' A' ' 31' ' ' ILE . 6.0 tp60 -110.69 -49.04 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -56.04 -24.75 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -39.53 -31.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -85.34 74.44 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -62.75 -13.33 31.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.06 7.97 16.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -145.84 -44.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.705 HG13 ' CG1' ' A' ' 12' ' ' VAL . 54.3 t -84.35 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.58 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.5 tt0 -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m 170.09 115.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -75.25 153.28 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.452 ' N ' ' SD ' ' A' ' 83' ' ' MET . 1.2 m-20 -148.32 -174.03 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.75 129.07 70.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -88.55 -31.46 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 179.84 170.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.62 95.15 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -140.73 -177.89 5.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -90.3 147.81 23.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.755 HG22 ' CA ' ' A' ' 6' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.759 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 119.017 -0.516 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.25 179.92 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.7 OUTLIER -97.98 178.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 80.8 84.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -104.22 171.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 91' ' ' ILE . 9.5 t -151.42 168.91 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.045 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.537 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -111.67 137.18 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 7' ' ' SER . 5.5 mm -138.86 108.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.694 HD13 ' OE1' ' A' ' 56' ' ' GLN . 12.0 tp -92.36 138.44 31.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 4.5 tp -121.22 162.14 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -143.2 106.34 4.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.664 ' CG1' HG13 ' A' ' 80' ' ' VAL . 2.2 t -101.24 136.43 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 123.35 51.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 138.5 23.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -43.1 -37.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.64 -174.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -15.75 37.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.15 -31.04 60.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.719 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.3 m -62.92 108.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.9 154.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.583 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -110.98 -36.25 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -70.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -61.22 2.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -41.4 -45.47 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.56 -61.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 13.2 mm-40 -45.64 -53.18 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -56.02 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.436 1.085 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 24' ' ' LEU . 61.4 t -46.93 -42.36 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 mtt85 -65.69 -50.63 64.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -38.84 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.578 HD13 ' CG1' ' A' ' 73' ' ' ILE . 2.1 mt -40.17 141.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -153.08 148.64 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.91 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 153.13 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -54.98 -55.53 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' CA ' HG21 ' A' ' 64' ' ' VAL . . . -85.98 16.14 44.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.91 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -119.91 126.02 49.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.373 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' VAL . 28.8 t -129.93 114.41 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 24.2 m95 -77.09 144.38 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 -100.02 1.85 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 132.82 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 0.705 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 99.3 p -88.69 170.61 10.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -135.22 156.63 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.7 mm? -119.47 154.17 34.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 43' ' ' LEU . 80.2 t -151.89 113.02 2.92 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.424 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.2 Cg_endo -75.04 138.59 23.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 47' ' ' GLY . 1.4 p -90.41 -155.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.713 ' N ' HG13 ' A' ' 46' ' ' VAL . . . -122.43 74.16 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.94 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.38 -12.69 2.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -84.27 164.93 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.73 . . . . 0.0 109.351 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -131.74 158.97 39.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.7 152.87 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -115.69 68.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 5.9 mt-30 -95.47 148.91 21.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.685 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -152.0 158.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.694 ' OE1' HD13 ' A' ' 9' ' ' LEU . 37.0 tp60 -126.53 144.31 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 26.3 p -139.02 -172.52 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.543 HG22 HD13 ' A' ' 91' ' ' ILE . 78.2 t -143.42 97.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.94 165.9 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -92.14 101.44 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.3 t0 53.75 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -151.91 24.44 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -37.93 18.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.533 HG21 ' CA ' ' A' ' 35' ' ' GLY . 69.9 t -109.94 135.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.66 176.53 20.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 66' ' ' THR . 8.8 t -76.41 47.57 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.28 -64.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -42.16 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -60.44 -47.06 87.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.665 ' HG3' HG21 ' A' ' 74' ' ' THR . 49.3 tt0 -56.19 -56.1 25.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.043 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.0 mm-40 -57.16 -16.02 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG2' ' CG1' ' A' ' 31' ' ' ILE . 1.7 tt0 -95.46 -46.73 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.816 HD12 HD13 ' A' ' 69' ' ' LEU . 56.1 mt -74.89 -59.01 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.665 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.6 p -66.76 -8.42 28.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.043 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -53.55 -20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.09 85.47 3.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -71.78 -4.6 28.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.09 19.1 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -153.73 -44.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 ' CG1' ' A' ' 12' ' ' VAL . 98.2 t -84.87 125.75 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -84.88 -38.06 19.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.8 m 179.98 118.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.464 ' HE2' HD11 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -90.63 150.88 21.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.077 . . . . 0.0 110.95 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.9 m-20 -153.84 -173.51 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 87' ' ' ALA . 7.5 p -106.29 150.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -104.0 -22.77 13.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 171.57 176.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.42 98.31 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' OG ' ' A' ' 6' ' ' SER . 33.3 t30 -151.36 173.81 14.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -77.67 171.03 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 6' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.686 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mtt . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.49 89.99 5.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.603 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 9.9 p -151.41 165.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 77.49 78.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.637 ' HE2' HG12 ' A' ' 58' ' ' VAL . 1.2 mmmm -87.21 174.58 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 59' ' ' VAL . 1.4 p -151.36 157.28 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.829 ' HB3' HD12 ' A' ' 91' ' ' ILE . 4.4 t -129.23 103.83 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.594 HG22 ' CD1' ' A' ' 10' ' ' LEU . 3.3 mp -91.09 141.41 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 5.4 tp -114.44 106.18 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.774 HD21 HG23 ' A' ' 66' ' ' THR . 8.6 mp -87.38 153.84 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.96 100.07 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.752 ' CG1' HG13 ' A' ' 80' ' ' VAL . 20.2 t -105.95 145.62 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.55 136.46 20.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HG3' ' HE2' ' A' ' 21' ' ' MET . 18.3 Cg_endo -74.94 155.87 43.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -65.08 -31.81 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.71 176.72 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -21.24 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.79 -41.13 83.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.753 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -47.68 106.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -51.41 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.533 ' HE2' ' HG3' ' A' ' 14' ' ' PRO . 1.1 mtt -59.41 -41.52 89.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -59.66 -43.94 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -67.99 -41.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.753 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -61.87 -45.33 94.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' OE1' HD21 ' A' ' 43' ' ' LEU . 33.2 tt0 -75.08 -32.8 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 2.2 tt0 -69.07 -58.96 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.18 -54.59 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 24' ' ' LEU . 54.8 t -44.75 -73.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp180 -49.07 -28.88 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.923 HG21 ' CD2' ' A' ' 69' ' ' LEU . 33.0 mt -64.29 131.34 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.42 141.8 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.197 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.967 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -156.67 141.84 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.26 -54.96 20.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.25 28.3 6.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.076 HD11 HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -124.6 133.42 53.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -138.13 108.39 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 109.388 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.59 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 36.3 m95 -74.0 129.64 38.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.11 -61.18 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 82.6 p -87.67 163.75 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.984 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -133.4 162.33 32.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD21 ' OE1' ' A' ' 25' ' ' GLU . 2.1 mm? -121.99 148.45 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.5 t -144.82 101.76 4.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.5 31.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -96.41 -71.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.18 -79.95 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 85.7 t80 -171.6 82.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.75 -43.48 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.458 HG23 ' HG2' ' A' ' 14' ' ' PRO . 5.0 mp -114.37 153.82 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.777 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -137.55 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -85.43 125.52 33.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -88.08 70.58 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.52 ' O ' HG22 ' A' ' 55' ' ' ILE . 3.5 mt-30 -96.24 148.82 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.654 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -153.9 148.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -122.85 146.42 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.59 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -132.73 -165.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.637 HG12 ' HE2' ' A' ' 5' ' ' LYS . 50.1 t -150.03 68.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 8' ' ' ILE . 3.8 m -84.51 174.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 1.3 mm-40 -84.75 171.89 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.73 5.05 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.96 25.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.05 -77.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.02 165.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.59 -178.54 17.23 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.774 HG23 HD21 ' A' ' 10' ' ' LEU . 24.1 m -75.53 56.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 0.821 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.41 -40.75 95.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.076 HD11 HD11 ' A' ' 36' ' ' LEU . 19.5 mt -57.74 -52.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG3' HG21 ' A' ' 74' ' ' THR . 25.5 tt0 -53.54 -56.4 17.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.047 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 3.4 mm-40 -59.0 -13.94 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -95.75 -46.49 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.81 -57.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.456 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.2 p -67.57 -8.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.047 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -56.53 -20.49 20.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -100.57 91.55 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -78.26 -4.84 49.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -96.67 15.53 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -148.69 -44.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.752 HG13 ' CG1' ' A' ' 12' ' ' VAL . 37.9 t -84.36 126.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 9.9 tt0 -84.63 -38.63 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p 179.35 106.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.413 ' HB2' HG22 ' A' ' 74' ' ' THR . 0.7 OUTLIER -75.52 152.43 37.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -150.24 -173.35 4.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.25 134.98 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -96.57 -24.33 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 8' ' ' ILE . . . 175.58 162.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -154.49 92.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -154.76 -177.85 6.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.67 149.99 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.829 HD12 ' HB3' ' A' ' 7' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.764 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mtt . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' C ' HG23 ' A' ' 3' ' ' VAL . 1.1 tp -163.3 111.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 4' ' ' ALA . 88.2 t -153.06 168.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.551 ' N ' HG12 ' A' ' 3' ' ' VAL . . . 56.13 82.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -97.32 174.34 6.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.699 ' HA ' HG22 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -153.77 169.53 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.736 ' HB2' HD13 ' A' ' 91' ' ' ILE . 35.6 t -142.39 148.53 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.409 HG12 ' CE2' ' A' ' 88' ' ' PHE . 1.8 mp -141.42 126.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 12.2 tp -95.12 137.66 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.7 HD21 ' CE ' ' A' ' 83' ' ' MET . 1.0 OUTLIER -124.33 160.21 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -147.27 97.59 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.861 ' CG1' HG13 ' A' ' 80' ' ' VAL . 58.6 t -102.0 150.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.78 139.5 21.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.695 ' HB3' HG21 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 160.91 39.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 3.1 m95 -74.33 -37.42 63.56 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.2 178.5 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.98 -34.11 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.9 -31.23 64.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.792 ' CG2' HD12 ' A' ' 24' ' ' LEU . 69.7 m -42.81 98.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 1.7 t0 -47.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.714 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.27 -33.36 73.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.083 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -68.97 -38.29 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -73.82 -52.44 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.792 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -53.96 -41.54 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.49 -43.76 54.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 22' ' ' ALA . 4.6 mm-40 -62.41 -59.16 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -58.68 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 108.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 24' ' ' LEU . 55.4 t -40.7 -50.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -48.33 69.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.05 -48.32 22.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 85.1 mt -40.82 130.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -137.52 146.03 43.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . . . -158.26 169.28 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.77 146.44 51.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.191 . . . . 0.0 109.24 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.79 21.41 4.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.732 ' CD2' HD21 ' A' ' 69' ' ' LEU . 42.3 tp -109.38 135.13 50.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' CG1' ' HB ' ' A' ' 58' ' ' VAL . 3.8 t -129.77 140.02 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 11.3 m95 -108.48 98.04 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.85 -115.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.4 134.61 36.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.6 p -87.73 169.94 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.66 150.82 44.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.4 mm? -119.84 152.73 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 43' ' ' LEU . 87.1 t -153.41 96.66 2.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.15 21.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.3 t -97.99 -55.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 173.54 -161.94 32.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 49.79 -90.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 0.749 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' HD13 ' A' ' 50' ' ' ILE . . . -166.69 27.78 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 17' ' ' ASP . 15.0 mm -113.37 165.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -147.6 163.38 36.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.765 ' O ' HD13 ' A' ' 43' ' ' LEU . 7.2 tttt -84.47 129.04 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.714 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -93.94 61.94 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.548 ' CD ' HD21 ' A' ' 9' ' ' LEU . 2.3 tt0 -93.0 139.3 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.591 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.28 162.78 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' OE1' ' C ' ' A' ' 8' ' ' ILE . 4.1 tp-100 -130.0 143.62 50.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -137.87 160.79 38.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.354 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' HB ' ' CG1' ' A' ' 37' ' ' VAL . 65.1 t -122.84 98.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.0 m -84.98 170.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -88.62 82.39 6.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 6' ' ' SER . 0.8 OUTLIER 58.96 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t70 -142.75 25.82 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -57.9 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.577 HG11 HD13 ' A' ' 36' ' ' LEU . 40.5 t -92.69 104.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.24 160.42 30.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -71.15 -8.66 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.452 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 ttp -59.89 -55.66 31.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.185 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 36' ' ' LEU . 59.3 mt -50.41 -41.34 52.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HG3' HG21 ' A' ' 74' ' ' THR . 29.5 tt0 -64.07 -52.59 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.031 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.9 OUTLIER -60.31 -13.92 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -99.38 -44.21 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.529 HG23 HG22 ' A' ' 28' ' ' VAL . 8.8 mt -74.25 -54.17 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.565 HG21 ' HG3' ' A' ' 70' ' ' GLU . 8.6 p -74.77 -2.2 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.031 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -61.2 -16.41 44.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.16 90.18 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.46 -8.66 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.43 13.79 16.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -149.09 -43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.861 HG13 ' CG1' ' A' ' 12' ' ' VAL . 39.3 t -84.06 125.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.377 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 31.8 tt0 -84.41 -38.79 19.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -179.49 112.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.7 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -85.18 151.65 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.27 -174.63 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.97 138.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -98.78 -27.22 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 167.6 169.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.397 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -153.46 102.5 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -154.03 172.19 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' CE ' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -73.89 143.77 45.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.736 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.775 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.496 HD13 ' OE1' ' A' ' 60' ' ' GLU . 9.2 mt -103.75 171.14 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.643 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 3.0 p -152.94 176.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 79.9 90.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -108.91 170.61 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.77 ' CA ' HG22 ' A' ' 91' ' ' ILE . 15.7 t -142.42 168.36 19.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.088 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.775 ' C ' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -114.9 149.35 37.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.943 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 7' ' ' SER . 3.4 mp -153.16 119.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 10' ' ' LEU . 7.1 tp -102.06 145.12 29.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 9' ' ' LEU . 6.4 mp -129.67 155.12 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.42 88.57 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' HG3' ' A' ' 83' ' ' MET . 23.3 t -89.28 146.37 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -113.94 130.49 23.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.0 36.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -69.83 -35.09 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.026 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.51 -178.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.83 -21.83 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.56 -32.45 73.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.769 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.6 m -69.82 108.78 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' CB ' ' HG3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -61.63 128.27 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.481 ' HE1' HD23 ' A' ' 53' ' ' LEU . 11.0 mmm -84.76 -7.66 59.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.31 -36.02 22.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HG3' ' CB ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -82.75 -48.73 10.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -56.83 -38.62 72.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.2 -52.19 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.68 -57.53 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.63 -53.83 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.608 1.193 . . . . 0.0 108.383 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.573 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -46.87 -40.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -52.97 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -38.93 -45.43 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.057 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.687 HG21 HD23 ' A' ' 69' ' ' LEU . 7.4 mt -44.22 129.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -150.76 137.33 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 166.94 29.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.72 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.23 8.49 44.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 69' ' ' LEU . 30.7 tp -111.58 137.43 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.9 t -142.89 141.66 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 64.6 m95 -97.73 -176.27 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.56 -136.34 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.7 m -108.32 128.71 54.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 94.6 p -87.92 163.17 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -130.1 156.52 44.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.385 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.4 mm? -123.14 153.06 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 43' ' ' LEU . 92.2 t -152.61 100.12 2.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.15 18.73 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' O ' HG22 ' A' ' 46' ' ' VAL . 8.9 p -148.48 44.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 152.14 106.5 0.31 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -38.29 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.28 -46.31 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLY . 2.7 mp -94.47 158.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.02 163.32 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.601 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -84.96 137.13 33.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.683 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -101.4 64.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' CD ' HD21 ' A' ' 9' ' ' LEU . 9.6 tt0 -90.11 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -149.9 164.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.608 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -130.01 142.08 50.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 5.9 p -127.85 178.18 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 1.007 HG22 HD13 ' A' ' 91' ' ' ILE . 60.4 t -141.15 108.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.725 HG13 HD13 ' A' ' 8' ' ' ILE . 1.6 m -92.4 166.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.0 tt0 -97.41 109.38 22.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.7 t70 47.44 -92.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -146.47 24.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -38.03 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 36' ' ' LEU . 23.2 t -109.6 132.27 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.44 166.31 22.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.483 ' CG2' HD21 ' A' ' 10' ' ' LEU . 85.9 m -75.72 52.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.42 -54.37 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 1.6 ttp -72.58 -43.08 63.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 36' ' ' LEU . 4.3 mt -55.51 -41.74 73.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG3' HG21 ' A' ' 74' ' ' THR . 19.7 tt0 -61.96 -56.55 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.038 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 16.4 mt-10 -58.1 -13.99 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 68' ' ' MET . 4.4 mm-40 -97.46 -47.6 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.3 mt -72.9 -52.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.456 HG21 ' HG3' ' A' ' 70' ' ' GLU . 13.4 p -74.37 -1.01 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.038 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -67.04 -19.36 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.6 90.77 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 111.0 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.1 mt-10 -77.14 -4.38 44.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -97.41 14.45 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 61.3 m-85 -150.31 -44.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -84.62 123.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 8.3 tt0 -84.15 -40.55 18.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p 177.74 107.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.48 ' HG3' HG22 ' A' ' 12' ' ' VAL . 5.9 ttt -80.54 153.37 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 83' ' ' MET . 7.7 m-20 -147.06 -175.24 4.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 143.55 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -103.67 -27.29 12.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 167.08 175.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.7 98.07 2.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.587 1.179 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' SER . 53.4 m-20 -143.74 -175.63 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -74.49 164.23 26.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.007 HD13 HG22 ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.777 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -99.27 -154.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.558 HG22 HD23 ' A' ' 2' ' ' LEU . 2.6 m -91.29 76.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 39.06 41.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HG3' HG23 ' A' ' 3' ' ' VAL . 1.4 mmmm -122.07 171.77 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.614 ' HA ' HG22 ' A' ' 91' ' ' ILE . 16.1 t -155.95 167.67 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.775 ' HB2' HD13 ' A' ' 91' ' ' ILE . 2.4 t -128.36 142.53 51.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.452 HG22 ' HG ' ' A' ' 10' ' ' LEU . 5.3 mp -130.0 120.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 14.4 tp -100.82 98.47 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 83' ' ' MET . 1.6 mp -95.21 137.73 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -118.98 96.28 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.817 ' CG1' HG13 ' A' ' 80' ' ' VAL . 20.9 t -84.85 146.55 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -108.6 129.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HG3' ' CE ' ' A' ' 21' ' ' MET . 18.4 Cg_endo -75.06 146.77 32.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -55.96 -38.88 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.34 174.88 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.4 -29.61 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 15.4 pt-20 -57.15 -49.46 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.777 ' CG2' HD12 ' A' ' 24' ' ' LEU . 12.9 m -38.4 114.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 100.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HG3' ' A' ' 14' ' ' PRO . 56.4 mmm -69.04 -17.48 63.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.16 -37.32 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -77.71 -46.28 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.9 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -54.03 -39.05 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 2.8 tt0 -75.61 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 27' ' ' CYS . 3.3 pt-20 -50.92 -42.49 59.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 51.6 t -58.54 -53.49 57.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 108.282 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 24' ' ' LEU . 40.4 t -45.31 -60.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -50.74 -43.91 58.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -49.21 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 97.9 mt -44.54 133.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 164.09 26.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.883 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -169.51 62.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 36' ' ' LEU . 1.7 t70 40.87 -90.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . -76.54 38.2 1.44 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.883 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -113.57 109.14 18.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -103.05 136.29 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m95 -106.73 79.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -37.74 -60.96 1.16 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.563 1.165 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER 161.88 129.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.468 ' OG ' ' CG ' ' A' ' 25' ' ' GLU . 57.5 p -85.76 155.63 20.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 166.25 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 52' ' ' LYS . 1.4 mm? -117.83 151.59 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.66 99.51 6.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.69 19.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.26 -35.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.02 -122.17 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 48' ' ' TYR . 25.2 p90 -139.11 97.42 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.26 -50.3 0.88 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.592 1.183 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.9 mp -96.04 163.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -152.54 163.96 38.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.533 ' O ' HD13 ' A' ' 43' ' ' LEU . 2.2 mttt -85.68 138.68 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.634 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.46 72.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 3.2 tt0 -100.0 144.77 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.579 HG13 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.29 149.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -115.89 144.09 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -148.55 152.54 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 91' ' ' ILE . 13.7 t -117.93 85.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.0 m -84.54 173.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.12 178.63 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.63 2.69 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -155.06 24.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -126.38 -78.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 65' ' ' GLY . 40.8 t -107.17 165.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 64' ' ' VAL . . . -131.34 -98.11 0.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.452 HG23 ' HE1' ' A' ' 83' ' ' MET . 0.9 OUTLIER -164.63 -40.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 5.4 p-10 -36.93 -46.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 9.2 ttp -63.6 -57.71 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.95 -42.6 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 74' ' ' THR . 3.2 tt0 -58.07 -54.43 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.957 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -67.25 -8.73 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 68' ' ' MET . 2.4 mm-40 -96.11 -53.69 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -73.78 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -60.21 -20.97 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.957 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -40.54 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -89.57 86.96 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -73.51 -4.56 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.55 16.6 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.68 -43.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.817 HG13 ' CG1' ' A' ' 12' ' ' VAL . 86.5 t -84.1 123.0 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.581 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.1 tt0 -84.33 -29.11 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.4 m 163.45 117.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.486 ' HE3' HD23 ' A' ' 10' ' ' LEU . 5.9 ttt -78.59 157.86 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.6 m-20 -149.42 -174.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.83 124.98 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -84.85 -21.57 29.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.192 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 173.64 145.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.13 88.25 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -143.73 -174.7 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -74.4 164.11 26.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.776 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 118.99 -0.529 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.63 162.5 25.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 4' ' ' ALA . 23.8 t -146.71 170.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.543 ' N ' HG12 ' A' ' 3' ' ' VAL . . . 64.76 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HD2' HG12 ' A' ' 58' ' ' VAL . 17.3 mmtt -113.07 173.55 6.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 31.9 t -145.87 161.95 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.625 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -107.43 143.68 35.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.74 HG22 ' CD1' ' A' ' 10' ' ' LEU . 5.0 mp -143.66 98.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 23.1 tp -86.34 125.87 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.74 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.9 mp -108.57 151.85 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.44 83.4 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.605 ' CG1' HG13 ' A' ' 80' ' ' VAL . 6.1 t -87.19 143.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -111.33 132.76 21.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.93 161.26 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -68.6 -31.76 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 108.052 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.41 -172.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -21.91 60.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.63 -38.37 80.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' MET . 24.2 m -46.6 108.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.27 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.219 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.474 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -58.47 -42.49 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -54.61 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.589 HD22 HD12 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -55.88 -41.76 74.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.96 -46.43 68.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.8 mm-40 -65.74 -63.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -42.16 -57.14 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.567 HG11 HG21 ' A' ' 55' ' ' ILE . 2.2 t -39.53 -45.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLU . 8.0 mtp180 -74.68 -44.56 49.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 p -49.91 -38.46 36.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' VAL . 92.2 mt -45.08 125.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -130.27 121.22 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.695 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -128.58 169.0 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.83 142.64 54.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 44.37 25.68 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.964 HD11 HD21 ' A' ' 69' ' ' LEU . 3.2 tt -106.31 127.99 53.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -117.51 143.4 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m95 -109.35 108.29 18.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.97 -134.28 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -112.57 134.3 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 99.3 p -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.89 156.15 49.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.3 mm? -121.23 149.45 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 43' ' ' LEU . 50.7 t -154.78 101.51 2.34 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.44 35.2 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.594 1.839 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.81 -92.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.172 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.71 90.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.31 -64.25 0.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.6 mp -94.81 162.57 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 0.81 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -153.57 159.28 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 148.79 26.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.589 HD12 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -109.45 74.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' CD ' HD21 ' A' ' 9' ' ' LEU . 7.6 tt0 -96.36 136.96 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.567 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.19 156.05 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.495 ' HB2' HD13 ' A' ' 9' ' ' LEU . 2.4 tp-100 -121.0 141.3 50.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 1.078 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -130.6 162.63 28.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.593 HG13 HD11 ' A' ' 91' ' ' ILE . 17.4 t -124.47 107.16 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.654 HG22 ' CD1' ' A' ' 8' ' ' ILE . 8.5 m -98.08 172.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.3 mm-40 -91.79 78.42 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' A' ' 62' ' ' ASP . 2.8 t70 59.31 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLU . 19.4 t0 -137.37 26.34 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -50.49 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 36' ' ' LEU . 97.2 t -106.95 123.12 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.24 164.8 15.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.672 ' CG2' HD21 ' A' ' 10' ' ' LEU . 20.0 m -75.05 -21.24 59.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 0.697 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.98 -59.32 1.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.413 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 1.7 ttp -58.26 -51.34 70.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.964 HD21 HD11 ' A' ' 36' ' ' LEU . 36.7 mt -52.15 -51.68 56.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 74' ' ' THR . 5.6 tt0 -54.5 -54.84 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.945 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 20.7 mm-40 -59.57 -14.2 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' OE1' ' CE ' ' A' ' 68' ' ' MET . 1.8 tt0 -95.89 -49.66 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 31' ' ' ILE . 8.8 mt -75.43 -65.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.461 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -54.11 -20.89 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.945 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -44.19 -31.28 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -88.83 89.33 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -75.71 -8.28 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -92.0 9.3 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 32.5 m-85 -142.05 -42.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.605 HG13 ' CG1' ' A' ' 12' ' ' VAL . 59.2 t -83.97 124.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 4.7 tt0 -85.01 -35.38 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 p 171.16 103.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.935 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.471 ' CG ' ' N ' ' A' ' 84' ' ' ASP . 8.8 ttt -75.2 158.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 111.059 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 83' ' ' MET . 1.9 m-20 -150.17 -175.82 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -108.64 134.08 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -95.43 -32.51 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 173.95 176.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.21 90.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -146.01 172.69 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -88.81 159.43 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.4 OUTLIER 63.33 99.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 96.2 t -154.25 156.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 72.58 80.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 13.9 mmtp -88.93 175.6 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.77 148.53 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.621 ' O ' HD13 ' A' ' 8' ' ' ILE . 3.3 t -88.06 148.15 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 7' ' ' SER . 11.6 mm -141.99 103.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 11.2 tp -107.55 101.78 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.923 HD21 HG21 ' A' ' 66' ' ' THR . 1.1 mt -99.72 138.4 36.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.45 101.19 7.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.857 HG13 HG13 ' A' ' 80' ' ' VAL . 84.8 t -89.5 154.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -113.64 128.37 25.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.03 136.32 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.566 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -45.6 -38.72 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 178.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.15 -23.74 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.58 -39.83 88.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.491 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -59.97 104.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.34 146.88 3.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.542 ' HE1' HD23 ' A' ' 53' ' ' LEU . 33.1 mmm -107.9 -10.39 15.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.79 -57.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 6.6 mttt -61.67 -44.75 96.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -57.08 -42.28 80.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.24 -56.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -55.85 -35.47 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -66.62 -52.5 44.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 55' ' ' ILE . 2.5 t -48.64 -39.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -75.03 -48.05 25.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -46.03 -42.98 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.509 HG21 ' CD2' ' A' ' 69' ' ' LEU . 67.5 mt -39.97 123.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -111.59 137.35 49.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.68 161.54 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -70.15 153.32 43.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.91 30.64 0.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 ' CD1' HD11 ' A' ' 69' ' ' LEU . 1.3 tp -106.36 131.76 53.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -126.74 109.41 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 7.9 m95 -80.62 105.87 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.25 -97.45 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -155.59 131.0 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -89.71 157.34 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -139.43 170.01 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.2 mm? -126.86 160.91 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' C ' ' A' ' 43' ' ' LEU . 81.1 t -154.32 115.82 2.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.28 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -90.87 -26.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' TYR . . . 167.75 74.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' GLY . 40.0 m-85 37.98 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.99 -83.25 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.2 mt -92.21 161.79 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -136.68 168.36 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' HD13 ' A' ' 43' ' ' LEU . 4.1 mttt -94.28 130.52 40.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.542 HD23 ' HE1' ' A' ' 21' ' ' MET . 0.2 OUTLIER -88.83 77.45 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.486 ' NE2' HD21 ' A' ' 9' ' ' LEU . 6.7 tt0 -104.75 145.08 30.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.737 HG21 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -149.15 155.43 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.409 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.82 144.12 50.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.53 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -146.2 161.62 39.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.616 HG13 HD11 ' A' ' 91' ' ' ILE . 10.0 t -119.92 76.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 64' ' ' VAL . 1.8 m -84.63 175.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.7 mm-40 -85.41 157.75 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 -0.04 57.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -141.62 24.78 2.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.88 -77.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 59' ' ' VAL . 1.9 t -85.6 150.2 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.44 11.57 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.067 . . . . 0.0 110.97 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.923 HG21 HD21 ' A' ' 10' ' ' LEU . 8.5 m 66.76 39.34 3.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -103.95 -57.21 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -41.66 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD11 ' CD1' ' A' ' 36' ' ' LEU . 72.4 mt -59.3 -37.82 78.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.592 ' HG3' HG21 ' A' ' 74' ' ' THR . 20.7 tt0 -65.91 -55.54 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.054 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 21.4 mt-10 -58.39 -14.97 8.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -46.05 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.431 ' CG1' ' CD1' ' A' ' 31' ' ' ILE . 16.6 mt -73.35 -55.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.592 HG21 ' HG3' ' A' ' 70' ' ' GLU . 11.8 p -71.46 -7.35 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.054 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -56.62 -21.02 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.393 1.058 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -96.3 85.16 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.37 -4.54 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.452 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -93.44 8.58 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 43.7 m-85 -144.19 -44.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.857 HG13 HG13 ' A' ' 12' ' ' VAL . 56.0 t -85.69 130.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.566 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -84.89 -35.7 22.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m 173.68 118.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.594 ' CE ' HD22 ' A' ' 10' ' ' LEU . 4.1 ttt -86.19 151.84 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 42.5 m-20 -147.26 -175.76 4.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.65 127.54 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -85.89 -18.24 33.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 168.24 161.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -143.29 90.18 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -153.58 -179.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 6.0 ttpp -90.91 163.64 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.616 HD11 HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.695 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 mtt . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 118.987 -0.53 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.06 44.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.88 81.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.64 96.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -104.73 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.783 ' CA ' HG22 ' A' ' 91' ' ' ILE . 30.2 t -146.42 166.49 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.723 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -114.52 124.4 51.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mm -124.43 108.85 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 55' ' ' ILE . 34.4 tp -93.32 126.46 38.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 10.5 mp -106.44 149.96 26.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.92 93.33 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 80' ' ' VAL . 55.0 t -94.49 156.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -120.64 130.94 24.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.95 143.2 28.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -54.74 -32.81 60.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.3 175.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -30.3 3.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.34 -40.75 82.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.978 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.9 m -56.38 96.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.04 112.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 53' ' ' LEU . 53.3 mmm -70.81 -29.04 65.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.61 -35.75 79.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -44.66 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.978 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -62.54 -38.36 89.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.22 -35.21 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -75.58 -56.27 4.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 t -43.73 -53.05 6.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.55 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 11.6 t -51.32 -40.0 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -73.0 -41.68 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -50.14 -29.97 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.711 HG21 HD23 ' A' ' 69' ' ' LEU . 73.1 mt -58.43 127.96 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.84 123.07 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.18 156.99 47.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.75 125.98 25.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.04 32.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.057 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 69' ' ' LEU . 7.9 tp -91.25 134.38 34.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 38' ' ' TRP . 40.7 t -140.44 142.08 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 69.0 m95 -90.27 -174.72 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.38 -77.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.94 129.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.9 p -87.91 165.96 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -128.6 158.31 38.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.8 mm? -122.25 151.32 41.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 43' ' ' LEU . 72.7 t -151.75 100.33 2.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HB3' ' CE ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.99 141.8 27.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -88.81 -62.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.31 -93.39 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.566 1.167 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -155.77 87.66 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.79 -49.09 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.6 mp -103.29 161.74 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 45' ' ' PRO . 7.4 mttt -150.74 165.87 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 43' ' ' LEU . 6.5 tttt -84.77 155.21 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.59 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -116.05 61.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' CD ' HD21 ' A' ' 9' ' ' LEU . 4.4 tt0 -88.23 137.78 32.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -144.7 145.57 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.604 ' HB2' HD13 ' A' ' 9' ' ' LEU . 3.3 tp-100 -114.93 142.83 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 7.6 p -136.76 177.46 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.714 HG13 HG21 ' A' ' 91' ' ' ILE . 22.8 t -134.73 84.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.3 175.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 63' ' ' LYS . 3.0 mm-40 -83.95 170.16 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -134.37 24.34 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.16 -46.79 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 36' ' ' LEU . 55.1 t -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.92 174.18 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 66' ' ' THR . 26.1 m -75.82 51.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 0.722 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 2.3 tmm? -71.39 -47.1 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 36' ' ' LEU . 1.6 mt -54.28 -42.7 70.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CE ' ' A' ' 83' ' ' MET . 4.4 tt0 -59.15 -55.11 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.046 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 8.8 mt-10 -63.77 -9.78 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 68' ' ' MET . 5.5 mm-40 -97.92 -47.73 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.433 HG23 HG22 ' A' ' 28' ' ' VAL . 6.5 mt -71.14 -53.08 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 18.3 p -74.29 -2.55 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.046 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -65.16 -11.7 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.91 92.68 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.7 mt-10 -83.28 -5.77 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -99.66 19.9 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 25.2 m-85 -154.68 -43.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 12' ' ' VAL . 77.1 t -85.64 128.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 7.3 tt0 -84.72 -36.14 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.5 p 174.56 111.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 4.6 ttt -81.25 149.99 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 2.0 m-20 -152.3 -174.35 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.507 HG21 ' CD2' ' A' ' 88' ' ' PHE . 9.5 p -107.1 136.52 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.25 -26.48 18.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.18 164.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -142.11 98.47 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -154.3 172.18 18.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -78.3 172.74 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.783 HG22 ' CA ' ' A' ' 6' ' ' SER . 1.1 tt . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.739 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtt . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 119.027 -0.511 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.3 50.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.733 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 1.3 p -127.01 -174.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 89.2 78.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.518 ' HE2' HG12 ' A' ' 58' ' ' VAL . 7.1 mtmm -119.58 171.06 8.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.651 ' HA ' HG22 ' A' ' 91' ' ' ILE . 13.2 t -135.6 170.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.702 ' HB2' HD13 ' A' ' 91' ' ' ILE . 10.3 t -130.69 128.51 41.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.055 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.628 HD13 ' O ' ' A' ' 7' ' ' SER . 25.1 mm -118.86 115.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 19.6 tp -92.02 106.05 18.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.615 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.5 mp -92.1 146.56 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -124.48 93.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 80' ' ' VAL . 59.5 t -91.57 149.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 tptt -113.64 132.92 22.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.02 146.64 32.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.589 1.836 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -56.94 -27.58 61.21 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.49 -171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -23.47 63.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.31 -39.43 89.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.793 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.1 m -62.44 97.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.75 154.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -38.36 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -62.0 2.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.71 -57.43 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.793 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER -48.06 -53.0 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -61.16 -57.77 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.7 mm-40 -50.86 -56.78 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -38.07 -68.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 108.338 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.935 HG22 HD12 ' A' ' 73' ' ' ILE . 40.2 t -39.35 -45.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 ttp180 -65.95 -51.45 58.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -38.65 -50.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 73' ' ' ILE . 3.0 mt -39.49 122.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -130.02 146.61 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.898 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -161.33 143.93 12.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.53 -54.92 22.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.29 28.35 6.29 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.953 HD21 HD21 ' A' ' 69' ' ' LEU . 9.5 tp -132.2 130.68 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.9 t -128.85 139.98 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 11.9 m95 -105.03 112.74 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -78.79 0.63 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.8 p -176.67 131.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.943 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 79.5 p -86.47 159.94 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' HD22 ' A' ' 43' ' ' LEU . 2.3 mtpp -131.3 158.68 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.8 mm? -121.49 148.4 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.472 HG23 ' C ' ' A' ' 43' ' ' LEU . 95.2 t -155.46 111.26 2.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 18.3 Cg_endo -74.94 134.1 17.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.8 -47.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.03 155.36 47.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -39.19 -50.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 0.741 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.88 24.79 3.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 14' ' ' PRO . 4.3 mp -115.72 162.67 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.8 mttt -130.03 165.9 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.607 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.2 ttpt -84.6 146.59 27.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -105.37 60.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -86.37 138.26 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.659 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -146.77 146.75 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 4.1 tp-100 -116.69 141.98 47.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.9 p -134.77 169.57 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.518 HG12 ' HE2' ' A' ' 5' ' ' LYS . 82.3 t -133.26 80.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 36' ' ' LEU . 10.1 m -84.11 176.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -81.72 -178.98 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 -50.7 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -139.34 25.41 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -33.75 6.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -149.04 131.48 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . . . -123.14 179.85 16.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.596 ' CG2' HD21 ' A' ' 10' ' ' LEU . 88.0 m -76.33 53.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -112.82 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -49.68 -39.83 37.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.953 HD21 HD21 ' A' ' 36' ' ' LEU . 11.0 mt -61.24 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.508 ' CG ' HG21 ' A' ' 74' ' ' THR . 21.4 tt0 -46.06 -57.49 4.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.054 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -49.41 -20.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.1 tt0 -98.83 -48.14 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.935 HD12 HG22 ' A' ' 28' ' ' VAL . 8.0 mm -64.98 -57.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.537 HG22 ' CB ' ' A' ' 83' ' ' MET . 51.6 p -69.42 -17.69 63.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.054 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -47.69 -27.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -93.32 97.19 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -86.92 -5.48 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.01 22.08 10.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 20.7 m-85 -154.99 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 12' ' ' VAL . 55.6 t -84.74 127.45 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 13.1 tt0 -84.69 -32.71 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 p 172.18 112.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.537 ' CB ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER -84.92 151.12 24.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.67 -172.73 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.3 t -112.31 133.4 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -92.43 -28.95 16.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.71 149.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.66 97.7 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -153.14 168.97 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 7.6 ttpp -77.16 163.91 26.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.763 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 118.98 -0.534 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -88.79 -166.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -106.2 107.85 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 38.54 53.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.815 ' HD2' HG12 ' A' ' 58' ' ' VAL . 20.7 mmtt -133.31 171.48 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.641 ' CA ' HG22 ' A' ' 91' ' ' ILE . 33.3 t -154.82 166.31 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.853 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -115.1 130.38 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -137.88 119.58 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 55' ' ' ILE . 16.9 tp -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.695 HD22 ' SD ' ' A' ' 83' ' ' MET . 4.4 mt -121.28 146.66 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.54 105.65 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 80' ' ' VAL . 18.7 t -92.84 147.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.64 127.68 26.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.97 134.38 17.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 12.8 m95 -48.57 -30.29 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 18' ' ' GLU . 4.2 m-20 177.3 166.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -27.23 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 16' ' ' ASP . 20.4 pt-20 -57.94 -37.29 73.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.727 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.7 m -57.58 102.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.33 102.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.921 ' HE1' HD23 ' A' ' 53' ' ' LEU . 76.0 mmm -61.55 -34.74 76.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.32 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -45.7 49.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.21 -40.05 88.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.26 -45.82 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -65.05 -52.9 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 48.3 t -40.89 -63.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.612 HG11 HG21 ' A' ' 55' ' ' ILE . 2.2 t -39.79 -47.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.05 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -44.1 -28.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 29.6 mm -56.73 121.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -112.52 133.61 54.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.865 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 120.04 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.31 -49.09 9.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' HG21 ' A' ' 64' ' ' VAL . . . -87.93 33.48 3.99 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.865 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 12.4 tp -132.91 124.88 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 0.733 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -117.12 104.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 11.6 m95 -79.18 108.1 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.62 -108.65 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.47 131.48 36.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 0.711 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.2 p -90.57 155.03 19.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.051 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.67 154.72 36.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.8 mm? -120.87 153.76 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 43' ' ' LEU . 86.2 t -152.71 120.87 3.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -75.05 139.6 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' HG12 ' A' ' 46' ' ' VAL . 84.2 t -148.61 58.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.063 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.43 112.72 2.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -37.22 106.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.37 -41.51 2.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 4.3 mt -94.39 161.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -155.41 162.83 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.599 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -86.17 148.19 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.921 HD23 ' HE1' ' A' ' 21' ' ' MET . 0.2 OUTLIER -114.08 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.65 ' NE2' HD21 ' A' ' 9' ' ' LEU . 2.8 tt0 -104.92 141.13 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.782 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -144.71 159.43 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.667 ' NE2' HD13 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -135.18 141.47 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.589 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 8.4 p -148.0 -180.0 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.214 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 1.054 HG22 HD13 ' A' ' 91' ' ' ILE . 99.0 t -131.06 104.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 5' ' ' LYS . 4.0 m -84.46 173.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -92.12 74.4 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 t70 57.7 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 60' ' ' GLU . 8.6 t0 -135.98 25.38 3.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.15 -53.71 5.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 64' ' ' VAL . 2.5 t -106.04 98.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 165.16 43.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.418 HG21 HD21 ' A' ' 10' ' ' LEU . 1.2 m -75.27 -20.34 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.443 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -46.09 -51.69 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -42.27 94.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 11.9 mt -61.99 -40.24 94.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.627 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 29.1 tt0 -74.91 -25.33 58.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -73.91 -16.31 61.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.735 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 6.1 pt20 -116.37 -47.42 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 89.7 mt -56.72 -83.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 38.4 p -54.07 -18.44 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 72' ' ' GLN . . . -40.24 -29.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' THR . 1.4 m-85 -87.38 79.46 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 2.9 tt0 -70.35 -4.97 24.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -90.18 13.91 13.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 42.1 m-85 -155.44 -42.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG22 HG11 ' A' ' 12' ' ' VAL . 24.1 t -84.02 129.48 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 18.8 tt0 -86.69 -37.02 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m 167.3 119.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.695 ' SD ' HD22 ' A' ' 10' ' ' LEU . 51.8 ttp -81.04 151.9 28.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 151.59 44.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 88' ' ' PHE . 4.2 p -89.62 124.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 -22.96 27.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.18 162.08 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -149.79 87.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -155.09 -178.82 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.79 167.2 22.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.054 HD13 HG22 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.782 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -91.09 170.87 9.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 34.0 t -143.75 157.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 83.52 90.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HE2' HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -100.11 172.61 7.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.865 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -155.28 171.31 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.797 ' CB ' HD12 ' A' ' 91' ' ' ILE . 3.2 t -127.88 145.14 51.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.732 HD13 HG22 ' A' ' 59' ' ' VAL . 4.2 mp -132.99 123.55 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.859 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 16.3 tp -92.85 100.84 13.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.85 HD21 HG23 ' A' ' 66' ' ' THR . 7.8 mp -84.53 148.8 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 18.9 t0 -131.47 102.26 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.808 ' CG1' HG13 ' A' ' 80' ' ' VAL . 39.7 t -101.54 151.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.3 tttt -113.78 131.99 22.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.98 155.4 43.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -67.43 -22.6 65.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.34 170.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -27.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 23.5 pt-20 -59.04 -48.95 79.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.92 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.0 m -43.92 102.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.69 105.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 mtt -67.67 -22.62 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.62 55.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -45.62 33.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.92 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.52 -40.77 88.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 3.5 tt0 -75.22 -31.42 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -63.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -41.81 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.614 HG13 ' CH2' ' A' ' 38' ' ' TRP . 2.1 t -40.25 -47.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -41.7 79.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.7 p -52.5 -35.7 53.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 97.1 mt -50.31 126.77 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.51 157.25 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.18 131.05 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.06 64.28 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 69' ' ' LEU . 5.7 tp -101.36 124.66 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.14 134.21 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CH2' HG13 ' A' ' 28' ' ' VAL . 76.0 m95 -102.49 82.55 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.031 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -43.61 -53.94 5.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.452 1.095 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER 160.98 135.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.928 ' HB2' HG22 ' A' ' 55' ' ' ILE . 77.5 p -85.24 167.02 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -137.7 165.13 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.4 mm? -122.93 152.23 41.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 ' C ' ' A' ' 43' ' ' LEU . 84.4 t -154.25 99.63 2.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.45 25.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -102.47 -41.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.37 -128.99 2.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -130.06 88.01 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.95 -53.75 0.55 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.19 159.11 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -147.12 168.79 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.69 126.73 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -90.32 72.6 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 42' ' ' LYS . 2.4 mt-30 -96.88 137.11 36.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -136.77 161.42 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 58.5 tt0 -129.32 145.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 p -142.43 176.61 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 5' ' ' LYS . 77.6 t -134.96 74.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.903 HG12 HD12 ' A' ' 36' ' ' LEU . 33.2 m -85.56 175.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -84.44 171.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.31 4.47 15.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 18.3 t0 -155.88 25.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -125.73 -76.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.21 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.614 HG22 ' H ' ' A' ' 65' ' ' GLY . 3.6 p -119.15 177.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 64' ' ' VAL . . . -133.68 178.76 18.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.85 HG23 HD21 ' A' ' 10' ' ' LEU . 3.2 m -74.17 -22.27 59.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -38.0 -56.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 36' ' ' LEU . 11.3 mt -46.74 -65.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -45.09 -57.78 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.042 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.65 -24.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.44 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 7.4 tt0 -95.33 -40.39 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.1 mt -71.1 -67.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.487 ' HA ' HG21 ' A' ' 80' ' ' VAL . 2.9 t -58.59 -23.77 59.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.042 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -39.44 -30.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.78 69.75 9.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.65 -13.71 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.39 14.87 5.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.478 ' CD2' ' CD1' ' A' ' 76' ' ' PHE . 95.3 m-85 -151.77 -41.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.808 HG13 ' CG1' ' A' ' 12' ' ' VAL . 61.1 t -83.44 128.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -86.48 -31.17 21.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m 169.61 112.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.16 152.46 32.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.09 -173.17 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.84 134.26 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -93.36 -35.34 13.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.072 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.25 -177.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -154.68 110.85 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -138.05 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 0.4 OUTLIER -98.85 136.57 38.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.865 ' H ' ' HA ' ' A' ' 6' ' ' SER . 5.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.705 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtt . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 119.012 -0.518 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.533 HD22 ' OE2' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -56.7 136.32 55.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.566 HG22 ' H ' ' A' ' 4' ' ' ALA . 1.7 p -155.18 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 3' ' ' VAL . . . 72.9 86.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 4.9 mmtp -113.19 173.2 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.71 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 32.2 t -155.37 163.58 39.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.717 ' HB2' HD13 ' A' ' 91' ' ' ILE . 1.4 t -118.91 101.49 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.751 HG22 ' CD1' ' A' ' 10' ' ' LEU . 8.6 mm -86.31 107.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 55' ' ' ILE . 12.2 tp -96.05 117.73 31.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.751 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.3 mp -109.19 149.23 29.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.88 91.93 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.598 ' CG1' HG13 ' A' ' 80' ' ' VAL . 29.2 t -88.75 148.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 128.11 25.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 142.96 28.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.423 1.749 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -48.02 -34.08 8.9 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.63 -176.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -18.13 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -71.84 -32.64 67.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.669 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.2 m -64.06 105.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 110.6 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.516 ' SD ' HD23 ' A' ' 53' ' ' LEU . 36.3 mmm -72.99 -29.38 63.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.188 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.84 80.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -73.02 -49.92 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.669 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -57.51 -39.99 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -68.15 -63.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.6 mm-40 -54.36 -52.26 62.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 41.6 t -43.71 -58.46 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.407 HG22 HG12 ' A' ' 73' ' ' ILE . 2.1 t -47.9 -48.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -27.79 69.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.4 p -66.93 -9.33 37.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.922 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.692 HD12 ' HG2' ' A' ' 72' ' ' GLN . 18.3 mm -73.53 128.89 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.03 151.01 34.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -171.95 147.67 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.52 150.33 46.93 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.4 16.72 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.706 HD12 ' CG1' ' A' ' 59' ' ' VAL . 0.5 OUTLIER -102.41 138.36 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -138.73 97.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 12.9 m95 -65.17 102.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.042 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.82 -68.28 1.68 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.72 148.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 68.3 p -98.41 158.3 15.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.24 160.59 27.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.2 mm? -119.9 155.22 33.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG23 ' C ' ' A' ' 43' ' ' LEU . 93.1 t -154.04 101.05 2.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.62 22.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.76 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 47' ' ' GLY . 24.5 t -84.48 -85.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' HG12 ' A' ' 46' ' ' VAL . . . -146.66 -46.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -157.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.22 13.84 56.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mp -102.88 158.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 9.1 mtpt -137.82 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.2 tttt -87.92 143.69 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD23 ' SD ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -100.63 75.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.3 tt0 -97.49 142.89 28.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -147.89 152.44 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.4 tt0 -132.09 139.64 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.601 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -129.86 -170.77 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.746 HG13 HG21 ' A' ' 91' ' ' ILE . 57.1 t -153.5 73.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.706 ' CG1' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.17 174.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' OE2' HD22 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -82.06 172.76 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.34 8.76 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.69 25.83 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' CD ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -113.15 -89.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.694 ' O ' HG21 ' A' ' 59' ' ' VAL . 21.6 t -109.4 148.24 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.96 -82.59 1.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.105 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.505 ' OG1' HG21 ' A' ' 8' ' ' ILE . 1.1 m -170.86 -40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.813 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.22 -57.49 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -57.02 -60.26 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 72.1 mt -50.29 -32.02 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.681 ' HG3' HG21 ' A' ' 74' ' ' THR . 24.1 tt0 -72.37 -57.24 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.997 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -57.12 -16.64 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.692 ' HG2' HD12 ' A' ' 31' ' ' ILE . 1.7 tt0 -99.4 -43.32 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 63.8 mt -75.32 -60.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.681 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.8 p -67.17 -13.49 62.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.997 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -45.74 -26.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -89.04 79.0 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.05 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.96 -5.47 31.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.42 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 4.1 t70 -94.63 10.32 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 59.6 m-85 -145.31 -44.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.598 HG13 ' CG1' ' A' ' 12' ' ' VAL . 48.5 t -84.35 125.94 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.1 tt0 -84.91 -38.7 19.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.054 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.7 p -179.85 128.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.47 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 6.1 ttt -104.56 154.06 20.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 83' ' ' MET . 1.6 m-20 -147.09 -175.24 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.61 124.69 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -84.9 -25.78 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 164.9 161.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -143.41 85.0 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -129.4 169.18 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 136.9 34.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.746 HG21 HG13 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.777 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.896 -0.574 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 48.07 68.89 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -155.21 151.4 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.01 57.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HE2' HG12 ' A' ' 58' ' ' VAL . 2.4 mmmm -117.18 170.57 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 91' ' ' ILE . 22.3 t -155.67 165.74 35.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.545 ' HB2' HD12 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -119.93 142.46 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.046 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.497 ' CD1' HG22 ' A' ' 59' ' ' VAL . 4.7 mp -139.91 116.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.604 HD21 ' OE1' ' A' ' 54' ' ' GLN . 22.6 tp -87.27 117.63 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD21 HG23 ' A' ' 66' ' ' THR . 6.5 mp -99.86 153.47 19.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.68 94.75 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 80' ' ' VAL . 31.0 t -85.17 147.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 122.32 34.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.02 133.65 16.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.428 1.751 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 27.9 m95 -43.11 -39.29 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.6 177.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -29.19 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.12 -43.12 73.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.785 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.2 m -56.63 99.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 142.43 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.85 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -100.48 -9.74 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.68 -30.5 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -86.74 -47.9 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.785 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.15 -37.99 75.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.1 -36.56 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.3 tt0 -72.58 -59.12 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLU . 20.8 t -41.64 -64.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.773 HG11 HG21 ' A' ' 55' ' ' ILE . 2.4 t -40.11 -39.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -75.44 -54.09 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ILE . 86.0 p -38.46 -46.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.792 HG21 HD23 ' A' ' 69' ' ' LEU . 87.0 mt -39.96 127.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.77 150.88 50.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.944 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -164.18 146.59 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.27 -52.91 63.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.53 26.14 8.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.944 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -121.75 124.51 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.374 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.77 99.66 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.607 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m95 -66.02 140.31 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 107.985 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.05 -94.79 2.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.54 134.76 15.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.067 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -97.83 157.76 15.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -134.76 163.84 28.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.9 mm? -121.49 159.59 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 43' ' ' LEU . 53.1 t -155.23 99.0 2.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.86 -32.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.14 -61.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 175.25 -34.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.55 -58.24 2.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.1 mp -92.82 161.11 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 19.9 mtmt -148.72 160.24 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -86.59 143.89 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.85 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -112.95 73.74 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.604 ' OE1' HD21 ' A' ' 9' ' ' LEU . 3.2 tt0 -100.93 141.42 33.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.773 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -150.09 157.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -121.76 142.76 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.607 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -132.31 -171.73 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 108.216 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.637 HG22 HD13 ' A' ' 91' ' ' ILE . 84.9 t -151.23 78.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.7 m -84.51 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -84.32 173.38 11.0 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.62 3.95 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -160.42 26.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -132.33 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.844 HG13 ' OD1' ' A' ' 67' ' ' ASP . 96.9 t -129.61 141.79 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 66' ' ' THR . . . -145.31 87.27 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.739 HG23 HD21 ' A' ' 10' ' ' LEU . 41.0 m 35.09 42.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.757 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.844 ' OD1' HG13 ' A' ' 64' ' ' VAL . 3.1 p-10 -101.03 -60.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.553 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 2.6 ttp -68.96 -47.52 65.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.792 HD23 HG21 ' A' ' 31' ' ' ILE . 21.0 mt -51.91 -31.83 30.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 74' ' ' THR . 13.2 tt0 -73.0 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.939 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -59.97 -11.15 5.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.553 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 2.8 mm-40 -102.2 -52.48 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.559 HG12 HG22 ' A' ' 28' ' ' VAL . 45.5 mt -67.82 -50.75 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 70' ' ' GLU . 3.2 p -78.2 4.65 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.939 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -73.7 -7.99 54.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.51 79.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -4.99 39.09 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.73 17.84 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -155.03 -43.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 12' ' ' VAL . 68.8 t -84.53 131.07 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 20.5 tt0 -84.95 -36.08 21.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 p 172.89 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 84' ' ' ASP . 6.4 ttp -79.98 149.23 30.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 83' ' ' MET . 3.7 m-20 -143.98 -175.67 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.22 126.13 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 -20.49 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.44 165.59 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.89 88.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -142.93 172.44 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.557 ' HG3' ' H ' ' A' ' 91' ' ' ILE . 11.9 tttt -74.95 164.42 26.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.637 HD13 HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.793 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 118.995 -0.526 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.11 142.51 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.737 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 76.7 t -140.54 150.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 88.65 77.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 12.1 mmtp -90.76 175.23 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 128.82 12.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.609 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.92 95.88 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.587 HG12 ' CD1' ' A' ' 88' ' ' PHE . 2.7 mp -84.82 142.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 56' ' ' GLN . 43.4 tp -117.03 99.56 7.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.645 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -89.42 129.83 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -103.18 97.28 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.675 HG13 HG13 ' A' ' 80' ' ' VAL . 60.1 t -84.95 151.1 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 127.12 25.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 144.35 29.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 4.7 m95 -58.14 -27.84 64.14 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -178.47 -176.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -21.29 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -23.59 66.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.657 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.5 m -66.37 109.74 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.88 95.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 53' ' ' LEU . 28.5 mmm -62.41 -30.38 71.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.09 79.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.42 20.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.657 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -56.13 -41.3 75.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.27 -47.58 49.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -61.72 -61.24 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -47.37 -47.82 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.579 HG11 HG21 ' A' ' 55' ' ' ILE . 1.3 t -44.66 -44.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -44.05 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -49.17 -24.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 72' ' ' GLN . 56.6 mt -54.86 128.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 138.79 47.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.78 155.52 25.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 132.7 50.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.51 8.17 59.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.993 HD12 HG12 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -102.14 116.94 33.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 135.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.487 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 24.7 m95 -94.16 121.22 35.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.0 -91.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.98 130.34 11.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 90.4 p -88.5 161.61 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.46 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -128.73 154.97 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.5 mm? -124.15 148.61 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' LYS . 1.8 t -151.3 134.98 9.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.93 138.63 23.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' PRO . 6.1 t -154.4 126.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.9 -147.4 29.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 107.29 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.13 -0.13 84.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mt -102.42 162.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -144.96 168.32 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.698 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -93.46 135.66 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.631 HD23 ' SD ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -102.74 68.63 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.243 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.618 ' OE1' HD21 ' A' ' 9' ' ' LEU . 12.6 tt0 -97.1 140.63 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.785 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -150.56 152.05 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.84 ' HB2' HD13 ' A' ' 9' ' ' LEU . 33.4 tt0 -116.94 141.73 47.85 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 1.063 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.487 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -116.63 -166.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 58' ' ' VAL . 94.6 t -151.39 59.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.993 HG12 HD12 ' A' ' 36' ' ' LEU . 2.2 m -83.98 163.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -81.94 4.76 21.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.55 25.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 -92.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 65' ' ' GLY . 71.8 t -108.58 165.62 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.504 ' N ' HG12 ' A' ' 64' ' ' VAL . . . -135.04 -162.08 9.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.467 HG23 ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -74.97 -30.67 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -39.18 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -39.35 -56.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -49.83 -58.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.685 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 53.4 tt0 -50.71 -52.18 42.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.858 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -65.38 -9.78 27.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' HD13 ' A' ' 31' ' ' ILE . 1.6 tt0 -97.83 -50.97 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.79 -63.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -54.81 -23.87 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.06 82.09 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 5.2 mm-40 -69.89 -9.57 55.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.22 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.37 10.13 23.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -147.62 -41.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.675 HG13 HG13 ' A' ' 12' ' ' VAL . 61.7 t -83.37 127.9 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 27.3 tt0 -84.84 -35.01 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 p 168.57 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.685 ' HE1' ' HB2' ' A' ' 70' ' ' GLU . 24.0 ttp -77.11 150.72 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 83' ' ' MET . 0.8 OUTLIER -142.42 -174.97 4.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.634 1.209 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.37 137.86 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.203 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -110.7 -20.44 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -176.29 145.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -155.46 85.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -155.73 -177.54 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 140.82 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.609 HD12 ' CB ' ' A' ' 7' ' ' SER . 34.6 mt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.778 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 118.95 -0.548 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 2' ' ' LEU . 6.4 tt -44.93 109.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.698 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 2.2 p -155.21 173.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 84.12 83.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HE2' HG12 ' A' ' 58' ' ' VAL . 1.1 mmmm -97.74 165.0 12.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.718 ' HA ' HG22 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -157.39 172.19 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.542 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -117.04 147.37 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.543 HG22 ' CD1' ' A' ' 10' ' ' LEU . 3.1 mp -144.93 129.08 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 55' ' ' ILE . 18.7 tp -102.95 111.21 23.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.961 HD21 HG23 ' A' ' 66' ' ' THR . 5.4 mp -101.54 141.49 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.76 107.91 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.591 HG12 ' CG1' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -108.13 129.34 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.9 tttt -88.89 137.54 29.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.92 143.14 28.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -54.53 -21.88 11.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER 163.09 166.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' A' ' 16' ' ' ASP . 0.5 OUTLIER -40.83 -31.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' ASP . 11.4 pt-20 -56.98 -51.0 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.9 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -39.98 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.24 99.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.638 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.4 mtp -66.13 -18.36 65.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.59 50.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -37.04 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.9 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -67.38 -41.12 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -52.2 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -58.31 -55.72 31.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.7 t -48.39 -53.54 17.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -48.01 -38.12 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -34.98 62.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 p -69.23 -26.94 65.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.776 HD12 ' HG2' ' A' ' 72' ' ' GLN . 22.1 mm -44.5 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.061 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 139.83 51.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' N ' HD23 ' A' ' 36' ' ' LEU . . . -159.79 167.47 28.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -76.74 140.26 40.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.22 16.88 36.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.051 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.629 HD13 HD11 ' A' ' 69' ' ' LEU . 8.1 tp -93.88 142.29 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.757 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.53 114.45 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 17.8 m95 -84.29 123.0 29.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 107.996 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 -80.9 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -164.72 134.85 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -91.54 155.1 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 153.5 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.7 mm? -114.67 160.69 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' LEU . 2.7 t -153.72 100.43 2.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.47 23.04 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.35 -70.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 48' ' ' TYR . . . -173.92 174.82 46.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 2.5 t80 68.61 -63.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.784 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.04 40.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.421 HG23 ' HG2' ' A' ' 14' ' ' PRO . 12.6 mt -129.58 157.16 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' HB3' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.28 169.45 17.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 125.51 37.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.638 HD23 ' HE2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -85.01 63.34 8.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.69 137.07 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.598 HG21 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -147.29 156.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 7.2 tm0? -122.82 144.03 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 1.067 . . . . 0.0 110.39 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -147.19 155.18 41.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 91' ' ' ILE . 21.7 t -108.83 77.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 69' ' ' LEU . 2.2 m -84.03 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -84.27 172.61 11.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.3 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.57 5.15 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 5.0 t70 -91.02 -67.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.86 -24.45 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 60' ' ' GLU . 21.7 t -83.97 151.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.51 170.56 37.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.961 HG23 HD21 ' A' ' 10' ' ' LEU . 1.6 m -72.92 -26.14 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -72.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -65.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.629 HD11 HD13 ' A' ' 36' ' ' LEU . 41.1 mt -44.51 -47.17 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.615 ' HG3' HG21 ' A' ' 74' ' ' THR . 14.8 tt0 -61.41 -50.34 73.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.999 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.5 mm-40 -59.06 -14.3 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.776 ' HG2' HD12 ' A' ' 31' ' ' ILE . 2.1 tt0 -101.26 -49.25 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.84 -56.46 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.615 HG21 ' HG3' ' A' ' 70' ' ' GLU . 9.6 p -72.22 -6.19 41.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.999 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -60.12 -20.31 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.0 85.3 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 8.8 mt-10 -79.71 -4.21 50.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.68 12.63 24.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -149.34 -43.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' HG12 ' A' ' 12' ' ' VAL . 97.7 t -84.27 128.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.574 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.3 tt0 -84.55 -35.97 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -176.97 131.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.478 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 1.3 tmt? -104.36 151.83 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.92 -173.16 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.8 131.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -93.79 -20.53 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.79 161.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.68 89.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -143.87 -176.15 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.1 146.79 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.955 HD13 HG22 ' A' ' 58' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.772 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 119.02 -0.514 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 58.07 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.569 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -152.8 172.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 75.64 80.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -103.43 172.7 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 34.1 t -154.78 166.91 31.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.445 1.091 . . . . 0.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.778 ' C ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -114.56 147.1 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.97 HD13 HG13 ' A' ' 59' ' ' VAL . 4.8 mp -145.0 101.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 54' ' ' GLN . 8.7 tp -85.99 131.89 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.771 HD21 ' CG2' ' A' ' 66' ' ' THR . 9.6 mp -120.71 153.01 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.81 127.38 26.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.772 HG13 HG13 ' A' ' 80' ' ' VAL . 68.7 t -120.45 150.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 125.69 29.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.77 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 20.2 m95 -48.72 -35.5 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -167.23 -175.99 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -21.5 66.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.09 -37.52 85.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.864 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.8 m -49.93 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -46.12 128.11 9.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.796 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -79.48 -32.75 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -62.2 -45.59 92.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -53.12 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.864 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.44 -39.95 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -75.3 -40.13 58.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' ALA . 2.5 tt0 -67.45 -54.13 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 49.7 t -40.99 -56.42 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.913 HG22 HG12 ' A' ' 73' ' ' ILE . 21.0 t -50.2 -68.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -44.85 -49.35 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -41.12 -31.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 HD11 HG13 ' A' ' 73' ' ' ILE . 44.6 mt -55.95 119.35 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.75 143.7 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.951 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -163.3 129.27 3.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -46.51 -47.92 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' C ' HG21 ' A' ' 64' ' ' VAL . . . -89.67 24.56 14.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.409 1.068 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.951 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 2.0 tp -122.35 118.75 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -115.57 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.587 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 3.1 m95 -60.66 137.39 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.66 -117.91 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.614 1.197 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.9 p -129.92 131.27 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 7.6 p -89.89 159.86 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -127.01 154.02 45.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 mm? -119.17 155.45 31.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' LYS . 3.0 t -151.42 116.56 3.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 155.7 43.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 47' ' ' GLY . 47.2 t -133.69 168.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' HG12 ' A' ' 46' ' ' VAL . . . -60.27 168.86 8.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 68.73 -64.71 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 159.45 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.6 mt -114.32 163.66 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 5.0 mtpt -139.41 159.14 42.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 ttmt -93.39 148.38 22.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.796 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -108.63 69.61 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' A' ' 9' ' ' LEU . 10.7 tt0 -93.23 139.33 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.636 HG13 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -146.1 160.24 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.484 ' NE2' HD13 ' A' ' 9' ' ' LEU . 1.9 tp-100 -126.65 141.72 51.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.587 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -133.76 160.18 38.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.287 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' SER . 48.6 t -124.84 108.93 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.97 HG13 HD13 ' A' ' 8' ' ' ILE . 1.4 m -100.04 170.97 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.185 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' ASP . 4.2 mm-40 -84.23 72.11 10.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD2' ' HB1' ' A' ' 4' ' ' ALA . 0.4 OUTLIER 68.28 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . 13.1 t70 -155.13 27.64 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 15.5 tttt -82.38 -57.08 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 35' ' ' GLY . 6.4 t -96.4 116.84 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.58 167.88 22.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.771 ' CG2' HD21 ' A' ' 10' ' ' LEU . 1.2 m -75.73 -0.51 21.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 0.792 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -59.07 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -59.97 -56.94 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 36' ' ' LEU . 1.4 mp -51.6 -50.67 59.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.583 ' HG3' HG21 ' A' ' 74' ' ' THR . 22.2 tt0 -56.14 -51.18 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 1.042 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -58.18 -15.84 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -99.69 -46.12 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.913 HG12 HG22 ' A' ' 28' ' ' VAL . 6.2 mt -69.6 -53.13 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.583 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.1 p -75.11 -1.71 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.042 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -70.15 -12.22 61.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.3 95.55 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -87.83 -5.72 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 p-10 -95.15 16.05 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 43.8 m-85 -153.2 -44.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.772 HG13 HG13 ' A' ' 12' ' ' VAL . 71.8 t -84.75 129.65 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 21.1 tt0 -84.93 -36.16 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m 174.46 115.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.488 ' CB ' HG22 ' A' ' 74' ' ' THR . 1.1 tmt? -87.2 152.06 22.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -147.84 -173.68 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.85 143.96 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -102.92 -29.0 11.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 170.77 173.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 92.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -148.84 172.41 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 91' ' ' ILE . 18.5 tttm -82.34 165.23 20.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.484 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.763 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HD2' HG12 ' A' ' 58' ' ' VAL . 7.9 mmtp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.466 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.1 t -155.42 166.71 32.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.806 ' HB2' HD12 ' A' ' 91' ' ' ILE . 1.2 t -123.96 128.58 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mt -133.55 116.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 55' ' ' ILE . 16.1 tp -94.37 130.57 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.636 HD21 HG23 ' A' ' 66' ' ' THR . 3.7 mp -113.87 157.36 22.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.96 123.37 13.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.713 ' CG1' HG13 ' A' ' 80' ' ' VAL . 36.6 t -127.81 148.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 tttt -108.69 131.37 21.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.01 148.21 34.94 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.587 1.835 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -54.86 -34.8 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -179.6 179.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -25.84 50.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.41 -38.2 79.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.868 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.0 m -52.74 102.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.17 102.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -63.49 -34.43 77.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.28 79.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -44.9 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.868 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.96 -44.84 96.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.648 ' OE1' HD21 ' A' ' 43' ' ' LEU . 3.8 tp10 -68.68 -34.43 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 tt0 -75.51 -61.21 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 43.0 t -40.98 -53.81 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 24' ' ' LEU . 49.1 t -45.63 -45.9 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -70.86 -53.16 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 p -38.76 -47.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 77.7 mt -41.86 131.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.13 151.74 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -160.15 167.47 27.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.56 125.72 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.48 10.51 70.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 HG11 ' A' ' 64' ' ' VAL . 7.7 tt -94.93 122.16 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.3 t -113.46 133.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m95 -104.17 118.11 35.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.05 -147.99 23.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -95.86 141.91 28.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 0.708 . . . . 0.0 109.964 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 83.5 p -96.72 163.93 12.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' O ' HD22 ' A' ' 43' ' ' LEU . 4.3 mtpt -127.9 159.67 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD21 ' OE1' ' A' ' 25' ' ' GLU . 3.7 mm? -125.1 147.67 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 t -143.71 103.58 4.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.2 Cg_endo -75.03 137.62 21.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.95 -16.54 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.45 55.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.49 164.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.769 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 -59.33 1.69 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.44 158.58 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 45' ' ' PRO . 2.9 mttt -151.9 164.71 36.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.617 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -85.86 146.12 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.732 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -102.45 66.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -90.9 137.79 32.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.595 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.72 153.2 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.569 ' OE1' HD13 ' A' ' 9' ' ' LEU . 49.3 tp60 -115.83 144.33 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.1 p -137.05 161.21 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG22 ' CD1' ' A' ' 91' ' ' ILE . 52.4 t -127.65 95.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.5 HG11 ' O ' ' A' ' 64' ' ' VAL . 16.0 m -84.82 169.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -91.32 78.27 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 62.77 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -142.07 26.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -56.77 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.705 HG11 HD12 ' A' ' 36' ' ' LEU . 45.6 t -98.49 112.16 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.88 161.7 22.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.636 HG23 HD21 ' A' ' 10' ' ' LEU . 1.1 m -75.44 -21.24 58.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.417 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.15 -53.66 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.414 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 1.8 tmm? -64.96 -54.88 23.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 36' ' ' LEU . 5.8 mt -49.47 -44.44 45.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.634 ' HG3' HG21 ' A' ' 74' ' ' THR . 16.0 tt0 -62.13 -53.88 49.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.04 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 33.8 mt-10 -59.11 -13.59 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 2.1 mm-40 -99.62 -47.35 5.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 28' ' ' VAL . 11.7 mt -72.95 -53.62 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 70' ' ' GLU . 6.3 p -75.29 -0.65 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.04 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -63.22 -14.9 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.88 91.63 4.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -74.74 -4.81 39.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.474 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 t70 -99.0 17.71 19.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 76.8 m-85 -151.19 -45.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 ' CG1' ' A' ' 12' ' ' VAL . 36.3 t -84.27 123.17 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 5.5 tt0 -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -178.69 112.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.63 152.19 25.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.01 -174.6 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.58 139.42 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -98.0 -25.4 14.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.402 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 171.86 173.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.12 97.19 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -153.23 -178.41 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -75.06 170.31 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.806 HD12 ' HB2' ' A' ' 7' ' ' SER . 4.5 tt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 60' ' ' GLU . 2.4 mmmm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.785 ' HA ' HG22 ' A' ' 91' ' ' ILE . 30.4 t -153.05 170.86 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.73 ' HB2' HD13 ' A' ' 91' ' ' ILE . 26.4 t -130.47 151.1 51.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.03 120.42 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.686 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 15.8 tp -90.52 116.45 28.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.95 163.45 13.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 5.0 t0 -150.12 89.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.706 HG13 HG13 ' A' ' 80' ' ' VAL . 75.1 t -94.08 155.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -115.15 136.12 22.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 151.99 40.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -62.29 -24.77 67.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.09 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -15.35 42.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.59 -34.26 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.632 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.3 m -67.23 88.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -40.1 122.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.687 ' HE1' HD23 ' A' ' 53' ' ' LEU . 49.9 mmm -76.55 -30.59 57.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.72 81.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -66.67 -51.2 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.853 HD13 ' HG ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.15 -41.08 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.19 -59.62 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.49 -54.97 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' SER . 12.2 t -42.13 -58.42 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.554 HG22 HG12 ' A' ' 73' ' ' ILE . 3.1 t -43.39 -52.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -32.42 73.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.3 p -64.65 -24.68 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 72' ' ' GLN . 9.7 mm -65.72 129.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -124.0 164.64 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.15 158.35 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.12 147.87 52.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.61 21.48 4.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.021 HD11 ' CD1' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.2 127.27 52.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -129.77 114.3 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 23.3 m95 -72.81 -176.9 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.6 -97.91 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.4 m -154.43 133.86 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 109.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 78.5 p -92.69 158.78 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.32 158.81 33.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 51' ' ' LYS . 1.8 mm? -118.38 154.28 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 43' ' ' LEU . 5.1 t -152.7 104.07 2.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 136.14 20.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.62 -74.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.16 154.83 26.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.5 -161.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 0.812 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 49.45 4.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.7 mt -126.89 160.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.408 0.71 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' HD12 ' A' ' 43' ' ' LEU . 1.9 mptt -151.05 166.89 29.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' HD13 ' A' ' 43' ' ' LEU . 2.2 mttt -87.25 129.49 34.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.853 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.17 68.73 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.565 ' NE2' HD21 ' A' ' 9' ' ' LEU . 2.6 tt0 -94.47 141.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.467 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -146.01 160.57 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.1 tm0? -130.37 143.27 50.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 2.7 p -139.38 174.81 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.754 HG13 HG21 ' A' ' 91' ' ' ILE . 97.5 t -134.12 86.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.487 ' HB ' HG12 ' A' ' 64' ' ' VAL . 1.5 m -84.77 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 2.1 mp0 -83.05 -172.71 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.94 -57.59 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.36 24.77 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -38.99 7.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.743 HG11 HD12 ' A' ' 36' ' ' LEU . 53.4 t -140.3 147.77 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.76 -104.41 1.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 66' ' ' THR . 2.7 m -162.9 27.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.441 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.71 -43.47 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.555 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 3.2 ttp -75.38 -51.74 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.021 ' CD1' HD11 ' A' ' 36' ' ' LEU . 74.7 mt -53.42 -29.51 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 74' ' ' THR . 27.6 tt0 -74.92 -57.43 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.069 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 5.3 pt-20 -58.31 -13.33 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.635 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.6 mm-40 -96.44 -45.6 6.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 69' ' ' LEU . 13.5 mt -75.51 -53.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.43 HG21 ' HG3' ' A' ' 70' ' ' GLU . 19.6 p -70.16 -14.5 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.069 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -49.55 -25.64 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.91 84.92 5.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -4.64 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' HD1' HG23 ' A' ' 19' ' ' THR . 36.6 m-85 -151.8 -44.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.706 HG13 HG13 ' A' ' 12' ' ' VAL . 62.3 t -84.58 127.04 40.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.548 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.9 tt0 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -179.93 115.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -86.23 151.83 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.36 -173.7 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -108.15 144.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -107.55 -21.02 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 176.01 167.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.12 97.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' OG ' ' A' ' 6' ' ' SER . 43.2 m-80 -150.95 178.27 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 5.9 ttpm? -78.64 165.04 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.525 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.752 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 7.2 mmtp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.668 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.8 t -155.02 167.72 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.091 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.706 ' HB3' HD12 ' A' ' 91' ' ' ILE . 27.6 t -127.95 150.17 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.637 HD12 ' C ' ' A' ' 7' ' ' SER . 4.3 mp -137.77 119.13 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.702 HD21 ' NE2' ' A' ' 54' ' ' GLN . 12.6 tp -84.53 108.63 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 66' ' ' THR . 9.8 mp -84.84 150.86 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 97.06 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.664 HG13 HG13 ' A' ' 80' ' ' VAL . 70.9 t -100.9 156.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.52 128.34 24.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.75 19.56 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 2.0 m95 -44.37 -37.9 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -175.16 -171.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -25.8 68.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.08 -40.39 89.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.872 ' CG2' HD12 ' A' ' 24' ' ' LEU . 31.2 m -50.56 101.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.74 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.758 ' HE2' HD23 ' A' ' 53' ' ' LEU . 6.6 mtp -56.47 -33.87 66.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.42 85.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -77.16 -50.07 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.872 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.16 -36.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.03 -62.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 20.6 mm-40 -53.26 -51.75 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -43.98 -54.3 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.588 HG13 ' CH2' ' A' ' 38' ' ' TRP . 24.7 t -52.19 -39.06 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 23.1 mtt180 -70.71 -55.94 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 p -46.4 -40.82 12.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 62.4 mt -50.34 129.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -135.32 167.42 21.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.77 165.46 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.02 138.72 54.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.72 14.62 23.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.768 HD11 ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -101.2 130.61 47.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -129.85 126.04 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CH2' HG13 ' A' ' 28' ' ' VAL . 19.4 m95 -90.94 125.52 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.96 -142.39 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.157 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.32 126.65 52.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 55' ' ' ILE . 78.1 p -84.65 168.89 14.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -132.75 157.82 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.1 mm? -122.56 149.64 43.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 43' ' ' LEU . 65.6 t -155.17 116.42 2.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 140.51 25.43 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 47' ' ' GLY . 4.5 p -139.52 179.43 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.69 ' H ' HG22 ' A' ' 46' ' ' VAL . . . 38.64 -122.51 1.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 48' ' ' TYR . 20.8 p90 -145.58 104.75 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.54 -26.14 21.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.4 mp -87.14 162.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -139.48 166.33 24.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -92.56 141.15 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.758 HD23 ' HE2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -103.28 71.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' A' ' 9' ' ' LEU . 1.5 tt0 -93.84 140.0 30.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -144.48 166.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -129.42 144.88 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' SER . 1.4 p -135.88 162.96 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.45 84.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.9 m -84.72 175.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.52 -173.27 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.25 17.64 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.87 -62.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG13 ' HB ' ' A' ' 59' ' ' VAL . 8.1 p -134.9 146.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.44 -175.96 14.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 66' ' ' THR . 6.1 m -73.51 57.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -61.92 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.64 -42.5 95.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.768 ' HG ' HD11 ' A' ' 36' ' ' LEU . 14.1 mt -57.93 -44.0 86.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.576 ' HG3' HG21 ' A' ' 74' ' ' THR . 21.3 tt0 -61.81 -57.55 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.035 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 2.2 mm-40 -57.53 -13.77 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 -48.46 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.7 mt -72.8 -53.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.576 HG21 ' HG3' ' A' ' 70' ' ' GLU . 11.0 p -72.97 -2.49 21.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.035 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -64.67 -13.0 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.72 89.8 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -4.74 56.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.2 t70 -96.34 14.18 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 49.0 m-85 -147.71 -44.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 HG13 ' A' ' 12' ' ' VAL . 77.8 t -84.86 131.56 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.556 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 3.3 tt0 -85.89 -34.66 20.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 173.43 114.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 83' ' ' MET . 1.1 tmt? -87.54 151.36 23.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -154.37 -172.91 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.498 HG21 ' HD2' ' A' ' 88' ' ' PHE . 7.6 p -107.56 139.98 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -98.2 -24.65 15.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 177.51 171.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' HD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -148.95 101.77 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -142.45 164.85 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 146.52 28.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' A' ' 7' ' ' SER . 7.1 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.733 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 5.9 mmtp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.755 ' CA ' HG22 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -151.78 169.48 22.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.714 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -114.94 143.41 45.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 7' ' ' SER . 8.6 mm -142.12 115.19 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.0 tp -95.43 119.42 33.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.864 HD21 HG23 ' A' ' 66' ' ' THR . 10.3 mp -102.0 151.62 21.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.46 101.54 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.705 ' CG1' HG13 ' A' ' 80' ' ' VAL . 3.6 t -99.37 142.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.61 122.75 39.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' HB3' HG21 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 139.93 24.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.7 m95 -42.72 -39.59 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 107.962 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.88 -170.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -22.59 67.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' THR . 8.6 pt-20 -62.2 -34.83 77.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.817 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.75 98.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.4 mmm -65.71 -45.82 81.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.42 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -48.5 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.817 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.25 -49.18 78.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.44 -57.34 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.21 -61.14 2.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' SER . 42.2 t -43.96 -54.36 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 24' ' ' LEU . 4.3 t -41.93 -48.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.42 75.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' CYS . 5.8 p -56.78 -27.91 60.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.79 HD12 ' HG2' ' A' ' 72' ' ' GLN . 41.1 mm -52.66 121.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.78 144.12 44.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.77 162.02 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.29 143.47 50.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.18 21.32 11.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -109.5 129.21 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.81 128.16 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 32.9 m95 -93.97 112.91 24.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 108.06 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.46 -77.6 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 141.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 p -102.16 153.58 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 164.82 27.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.7 mm? -117.06 151.99 35.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.5 t -149.32 101.42 3.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.94 138.17 22.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.18 -62.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 48' ' ' TYR . . . -99.61 -60.51 0.85 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.1 -38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.03 -56.96 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.3 mp -85.94 163.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.24 161.08 38.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.09 137.72 32.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.623 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -96.21 81.3 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -107.58 138.67 43.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.648 HG21 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.1 145.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.391 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.584 ' OE1' HD13 ' A' ' 9' ' ' LEU . 60.0 tp60 -109.75 143.86 38.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -137.8 161.43 36.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG22 HD13 ' A' ' 91' ' ' ILE . 49.4 t -117.74 80.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 m -84.54 175.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -84.16 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 -46.78 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.51 26.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -96.05 -70.04 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.96 144.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.98 161.48 12.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.864 HG23 HD21 ' A' ' 10' ' ' LEU . 1.3 m -75.07 -21.63 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.45 -56.1 3.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -40.32 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 36' ' ' LEU . 24.4 mt -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 74' ' ' THR . 24.1 tt0 -66.67 -44.08 82.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 5.4 pt-20 -74.97 -1.44 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.79 ' HG2' HD12 ' A' ' 31' ' ' ILE . 6.0 tp60 -110.69 -49.04 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -56.04 -24.75 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -39.53 -31.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -85.34 74.44 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -62.75 -13.33 31.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.06 7.97 16.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -145.84 -44.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.705 HG13 ' CG1' ' A' ' 12' ' ' VAL . 54.3 t -84.35 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.58 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.5 tt0 -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m 170.09 115.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -75.25 153.28 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.452 ' N ' ' SD ' ' A' ' 83' ' ' MET . 1.2 m-20 -148.32 -174.03 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.75 129.07 70.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -88.55 -31.46 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 179.84 170.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.62 95.15 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -140.73 -177.89 5.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -90.3 147.81 23.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.755 HG22 ' CA ' ' A' ' 6' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.759 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 91' ' ' ILE . 9.5 t -151.42 168.91 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.045 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.537 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -111.67 137.18 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 7' ' ' SER . 5.5 mm -138.86 108.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.694 HD13 ' OE1' ' A' ' 56' ' ' GLN . 12.0 tp -92.36 138.44 31.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 4.5 tp -121.22 162.14 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -143.2 106.34 4.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.664 ' CG1' HG13 ' A' ' 80' ' ' VAL . 2.2 t -101.24 136.43 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 123.35 51.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 138.5 23.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -43.1 -37.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.64 -174.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -15.75 37.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.15 -31.04 60.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.719 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.3 m -62.92 108.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.9 154.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.583 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -110.98 -36.25 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -70.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -61.22 2.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -41.4 -45.47 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.56 -61.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 13.2 mm-40 -45.64 -53.18 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -56.02 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.436 1.085 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 24' ' ' LEU . 61.4 t -46.93 -42.36 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 mtt85 -65.69 -50.63 64.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -38.84 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.578 HD13 ' CG1' ' A' ' 73' ' ' ILE . 2.1 mt -40.17 141.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -153.08 148.64 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.91 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 153.13 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -54.98 -55.53 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' CA ' HG21 ' A' ' 64' ' ' VAL . . . -85.98 16.14 44.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.91 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -119.91 126.02 49.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.373 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' VAL . 28.8 t -129.93 114.41 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 24.2 m95 -77.09 144.38 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 -100.02 1.85 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 132.82 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 0.705 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 99.3 p -88.69 170.61 10.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -135.22 156.63 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' A' ' 43' ' ' LEU . 1.7 mm? -119.47 154.17 34.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 43' ' ' LEU . 80.2 t -151.89 113.02 2.92 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.424 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.2 Cg_endo -75.04 138.59 23.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 47' ' ' GLY . 1.4 p -90.41 -155.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.713 ' N ' HG13 ' A' ' 46' ' ' VAL . . . -122.43 74.16 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.94 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.38 -12.69 2.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -84.27 164.93 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.73 . . . . 0.0 109.351 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -131.74 158.97 39.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.7 152.87 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -115.69 68.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 5.9 mt-30 -95.47 148.91 21.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.685 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -152.0 158.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.694 ' OE1' HD13 ' A' ' 9' ' ' LEU . 37.0 tp60 -126.53 144.31 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 26.3 p -139.02 -172.52 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.543 HG22 HD13 ' A' ' 91' ' ' ILE . 78.2 t -143.42 97.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.94 165.9 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -92.14 101.44 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.3 t0 53.75 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -151.91 24.44 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -37.93 18.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.533 HG21 ' CA ' ' A' ' 35' ' ' GLY . 69.9 t -109.94 135.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.66 176.53 20.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 66' ' ' THR . 8.8 t -76.41 47.57 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.28 -64.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -42.16 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -60.44 -47.06 87.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.665 ' HG3' HG21 ' A' ' 74' ' ' THR . 49.3 tt0 -56.19 -56.1 25.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.043 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.0 mm-40 -57.16 -16.02 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG2' ' CG1' ' A' ' 31' ' ' ILE . 1.7 tt0 -95.46 -46.73 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.816 HD12 HD13 ' A' ' 69' ' ' LEU . 56.1 mt -74.89 -59.01 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.665 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.6 p -66.76 -8.42 28.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.043 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -53.55 -20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.09 85.47 3.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -71.78 -4.6 28.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.09 19.1 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -153.73 -44.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 ' CG1' ' A' ' 12' ' ' VAL . 98.2 t -84.87 125.75 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -84.88 -38.06 19.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.8 m 179.98 118.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.464 ' HE2' HD11 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -90.63 150.88 21.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.077 . . . . 0.0 110.95 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.9 m-20 -153.84 -173.51 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 87' ' ' ALA . 7.5 p -106.29 150.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -104.0 -22.77 13.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 171.57 176.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.42 98.31 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' OG ' ' A' ' 6' ' ' SER . 33.3 t30 -151.36 173.81 14.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -77.67 171.03 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 6' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.686 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.637 ' HE2' HG12 ' A' ' 58' ' ' VAL . 1.2 mmmm . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 59' ' ' VAL . 1.4 p -151.36 157.28 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.829 ' HB3' HD12 ' A' ' 91' ' ' ILE . 4.4 t -129.23 103.83 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.594 HG22 ' CD1' ' A' ' 10' ' ' LEU . 3.3 mp -91.09 141.41 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 5.4 tp -114.44 106.18 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.774 HD21 HG23 ' A' ' 66' ' ' THR . 8.6 mp -87.38 153.84 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.96 100.07 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.752 ' CG1' HG13 ' A' ' 80' ' ' VAL . 20.2 t -105.95 145.62 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.55 136.46 20.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HG3' ' HE2' ' A' ' 21' ' ' MET . 18.3 Cg_endo -74.94 155.87 43.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -65.08 -31.81 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.71 176.72 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -21.24 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.79 -41.13 83.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.753 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -47.68 106.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -51.41 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.533 ' HE2' ' HG3' ' A' ' 14' ' ' PRO . 1.1 mtt -59.41 -41.52 89.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -59.66 -43.94 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -67.99 -41.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.753 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -61.87 -45.33 94.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' OE1' HD21 ' A' ' 43' ' ' LEU . 33.2 tt0 -75.08 -32.8 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 2.2 tt0 -69.07 -58.96 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.18 -54.59 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 24' ' ' LEU . 54.8 t -44.75 -73.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp180 -49.07 -28.88 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.923 HG21 ' CD2' ' A' ' 69' ' ' LEU . 33.0 mt -64.29 131.34 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.42 141.8 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.197 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.967 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -156.67 141.84 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.26 -54.96 20.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.25 28.3 6.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.076 HD11 HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -124.6 133.42 53.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -138.13 108.39 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 109.388 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.59 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 36.3 m95 -74.0 129.64 38.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.11 -61.18 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 82.6 p -87.67 163.75 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.984 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -133.4 162.33 32.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.475 HD21 ' OE1' ' A' ' 25' ' ' GLU . 2.1 mm? -121.99 148.45 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.5 t -144.82 101.76 4.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.5 31.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -96.41 -71.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.18 -79.95 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 85.7 t80 -171.6 82.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.75 -43.48 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.458 HG23 ' HG2' ' A' ' 14' ' ' PRO . 5.0 mp -114.37 153.82 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.777 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -137.55 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -85.43 125.52 33.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -88.08 70.58 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.52 ' O ' HG22 ' A' ' 55' ' ' ILE . 3.5 mt-30 -96.24 148.82 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.654 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -153.9 148.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -122.85 146.42 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.59 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -132.73 -165.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.637 HG12 ' HE2' ' A' ' 5' ' ' LYS . 50.1 t -150.03 68.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 8' ' ' ILE . 3.8 m -84.51 174.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 1.3 mm-40 -84.75 171.89 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.73 5.05 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.96 25.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.05 -77.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.02 165.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.59 -178.54 17.23 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.774 HG23 HD21 ' A' ' 10' ' ' LEU . 24.1 m -75.53 56.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 0.821 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.41 -40.75 95.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.076 HD11 HD11 ' A' ' 36' ' ' LEU . 19.5 mt -57.74 -52.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG3' HG21 ' A' ' 74' ' ' THR . 25.5 tt0 -53.54 -56.4 17.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.047 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 3.4 mm-40 -59.0 -13.94 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -95.75 -46.49 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.81 -57.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.456 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.2 p -67.57 -8.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.047 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -56.53 -20.49 20.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -100.57 91.55 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -78.26 -4.84 49.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -96.67 15.53 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -148.69 -44.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.752 HG13 ' CG1' ' A' ' 12' ' ' VAL . 37.9 t -84.36 126.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 9.9 tt0 -84.63 -38.63 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p 179.35 106.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.413 ' HB2' HG22 ' A' ' 74' ' ' THR . 0.7 OUTLIER -75.52 152.43 37.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -150.24 -173.35 4.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.25 134.98 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -96.57 -24.33 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 8' ' ' ILE . . . 175.58 162.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -154.49 92.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -154.76 -177.85 6.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.67 149.99 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.829 HD12 ' HB3' ' A' ' 7' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.764 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.699 ' HA ' HG22 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -153.77 169.53 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.736 ' HB2' HD13 ' A' ' 91' ' ' ILE . 35.6 t -142.39 148.53 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.409 HG12 ' CE2' ' A' ' 88' ' ' PHE . 1.8 mp -141.42 126.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 12.2 tp -95.12 137.66 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.7 HD21 ' CE ' ' A' ' 83' ' ' MET . 1.0 OUTLIER -124.33 160.21 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -147.27 97.59 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.861 ' CG1' HG13 ' A' ' 80' ' ' VAL . 58.6 t -102.0 150.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.78 139.5 21.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.695 ' HB3' HG21 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 160.91 39.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 3.1 m95 -74.33 -37.42 63.56 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.2 178.5 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.98 -34.11 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.9 -31.23 64.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.792 ' CG2' HD12 ' A' ' 24' ' ' LEU . 69.7 m -42.81 98.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 1.7 t0 -47.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.714 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.27 -33.36 73.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.083 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -68.97 -38.29 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -73.82 -52.44 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.792 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -53.96 -41.54 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.49 -43.76 54.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 22' ' ' ALA . 4.6 mm-40 -62.41 -59.16 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -58.68 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 108.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 24' ' ' LEU . 55.4 t -40.7 -50.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -48.33 69.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.05 -48.32 22.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 85.1 mt -40.82 130.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -137.52 146.03 43.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . . . -158.26 169.28 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.77 146.44 51.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.191 . . . . 0.0 109.24 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.79 21.41 4.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.732 ' CD2' HD21 ' A' ' 69' ' ' LEU . 42.3 tp -109.38 135.13 50.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' CG1' ' HB ' ' A' ' 58' ' ' VAL . 3.8 t -129.77 140.02 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 11.3 m95 -108.48 98.04 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.85 -115.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.4 134.61 36.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.6 p -87.73 169.94 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.66 150.82 44.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.4 mm? -119.84 152.73 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 43' ' ' LEU . 87.1 t -153.41 96.66 2.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.15 21.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.3 t -97.99 -55.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 173.54 -161.94 32.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 49.79 -90.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 0.749 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' HD13 ' A' ' 50' ' ' ILE . . . -166.69 27.78 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 17' ' ' ASP . 15.0 mm -113.37 165.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -147.6 163.38 36.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.765 ' O ' HD13 ' A' ' 43' ' ' LEU . 7.2 tttt -84.47 129.04 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.714 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -93.94 61.94 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.548 ' CD ' HD21 ' A' ' 9' ' ' LEU . 1.9 tt0 -93.0 139.3 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.591 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.28 162.78 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' OE1' ' C ' ' A' ' 8' ' ' ILE . 4.1 tp-100 -130.0 143.62 50.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -137.87 160.79 38.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.354 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' HB ' ' CG1' ' A' ' 37' ' ' VAL . 65.1 t -122.84 98.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.0 m -84.98 170.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -88.62 82.39 6.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 6' ' ' SER . 0.8 OUTLIER 58.96 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t70 -142.75 25.82 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -57.9 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.577 HG11 HD13 ' A' ' 36' ' ' LEU . 40.5 t -92.69 104.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.24 160.42 30.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -71.15 -8.66 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.452 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 ttp -59.89 -55.66 31.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.185 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 36' ' ' LEU . 59.3 mt -50.41 -41.34 52.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HG3' HG21 ' A' ' 74' ' ' THR . 29.5 tt0 -64.07 -52.59 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.031 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.9 OUTLIER -60.31 -13.92 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -99.38 -44.21 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.529 HG23 HG22 ' A' ' 28' ' ' VAL . 8.8 mt -74.25 -54.17 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.565 HG21 ' HG3' ' A' ' 70' ' ' GLU . 8.6 p -74.77 -2.2 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.031 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -61.2 -16.41 44.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.16 90.18 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.46 -8.66 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.43 13.79 16.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -149.09 -43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.861 HG13 ' CG1' ' A' ' 12' ' ' VAL . 39.3 t -84.06 125.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.377 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 31.8 tt0 -84.41 -38.79 19.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -179.49 112.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.7 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -85.18 151.65 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.27 -174.63 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.97 138.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -98.78 -27.22 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 167.6 169.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.397 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -153.46 102.5 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -154.03 172.19 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' H ' ' CE ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -73.89 143.77 45.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.736 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.775 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.77 ' CA ' HG22 ' A' ' 91' ' ' ILE . 15.7 t -142.42 168.36 19.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.088 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.775 ' C ' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -114.9 149.35 37.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.943 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 7' ' ' SER . 3.4 mp -153.16 119.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 10' ' ' LEU . 7.1 tp -102.06 145.12 29.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 9' ' ' LEU . 6.4 mp -129.67 155.12 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.42 88.57 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' HG3' ' A' ' 83' ' ' MET . 23.3 t -89.28 146.37 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -113.94 130.49 23.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.0 36.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -69.83 -35.09 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.026 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.51 -178.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.83 -21.83 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.56 -32.45 73.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.769 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.6 m -69.82 108.78 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' CB ' ' HG3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -61.63 128.27 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.481 ' HE1' HD23 ' A' ' 53' ' ' LEU . 11.0 mmm -84.76 -7.66 59.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.31 -36.02 22.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HG3' ' CB ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -82.75 -48.73 10.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -56.83 -38.62 72.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.2 -52.19 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.68 -57.53 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.63 -53.83 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.608 1.193 . . . . 0.0 108.383 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.573 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -46.87 -40.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -52.97 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -38.93 -45.43 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.057 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.687 HG21 HD23 ' A' ' 69' ' ' LEU . 7.4 mt -44.22 129.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -150.76 137.33 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 166.94 29.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.72 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.23 8.49 44.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 69' ' ' LEU . 30.7 tp -111.58 137.43 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.9 t -142.89 141.66 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 64.6 m95 -97.73 -176.27 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.56 -136.34 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.7 m -108.32 128.71 54.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 94.6 p -87.92 163.17 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -130.1 156.52 44.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.385 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.4 mm? -123.14 153.06 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 43' ' ' LEU . 92.2 t -152.61 100.12 2.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.15 18.73 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 46' ' ' VAL . 8.9 p -148.48 44.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 152.14 106.5 0.31 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -38.29 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.28 -46.31 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLY . 2.7 mp -94.47 158.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.02 163.32 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.601 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -84.96 137.13 33.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.683 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -101.4 64.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.518 ' NE2' HD21 ' A' ' 9' ' ' LEU . 6.9 tt0 -90.11 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -149.9 164.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.608 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -130.01 142.08 50.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 5.9 p -127.85 178.18 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 1.007 HG22 HD13 ' A' ' 91' ' ' ILE . 60.4 t -141.15 108.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.725 HG13 HD13 ' A' ' 8' ' ' ILE . 1.6 m -92.4 166.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.0 tt0 -97.41 109.38 22.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.7 t70 47.44 -92.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -146.47 24.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -38.03 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 36' ' ' LEU . 23.2 t -109.6 132.27 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.44 166.31 22.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.483 ' CG2' HD21 ' A' ' 10' ' ' LEU . 85.9 m -75.72 52.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.42 -54.37 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 1.6 ttp -72.58 -43.08 63.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 36' ' ' LEU . 4.3 mt -55.51 -41.74 73.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG3' HG21 ' A' ' 74' ' ' THR . 19.7 tt0 -61.96 -56.55 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.038 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 16.4 mt-10 -58.1 -13.99 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 68' ' ' MET . 4.4 mm-40 -97.46 -47.6 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.3 mt -72.9 -52.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.456 HG21 ' HG3' ' A' ' 70' ' ' GLU . 13.4 p -74.37 -1.01 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.038 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -67.04 -19.36 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.6 90.77 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 111.0 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.1 mt-10 -77.14 -4.38 44.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -97.41 14.45 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 61.3 m-85 -150.31 -44.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -84.62 123.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 8.3 tt0 -84.15 -40.55 18.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p 177.74 107.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.48 ' HG3' HG22 ' A' ' 12' ' ' VAL . 5.9 ttt -80.54 153.37 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 83' ' ' MET . 7.7 m-20 -147.06 -175.24 4.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 143.55 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -103.67 -27.29 12.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 167.08 175.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.7 98.07 2.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.587 1.179 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' SER . 53.4 m-20 -143.74 -175.63 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -74.49 164.23 26.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.007 HD13 HG22 ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.777 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 1.4 mmmm . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.614 ' HA ' HG22 ' A' ' 91' ' ' ILE . 16.1 t -155.95 167.67 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.775 ' HB2' HD13 ' A' ' 91' ' ' ILE . 2.4 t -128.36 142.53 51.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.452 HG22 ' HG ' ' A' ' 10' ' ' LEU . 5.3 mp -130.0 120.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 14.4 tp -100.82 98.47 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 83' ' ' MET . 1.6 mp -95.21 137.73 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -118.98 96.28 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.817 ' CG1' HG13 ' A' ' 80' ' ' VAL . 20.9 t -84.85 146.55 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -108.6 129.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HG3' ' CE ' ' A' ' 21' ' ' MET . 18.4 Cg_endo -75.06 146.77 32.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -55.96 -38.88 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.34 174.88 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.4 -29.61 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 15.4 pt-20 -57.15 -49.46 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.777 ' CG2' HD12 ' A' ' 24' ' ' LEU . 12.9 m -38.4 114.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 100.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HG3' ' A' ' 14' ' ' PRO . 56.4 mmm -69.04 -17.48 63.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.16 -37.32 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -77.71 -46.28 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.9 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -54.03 -39.05 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 2.8 tt0 -75.61 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 27' ' ' CYS . 3.3 pt-20 -50.92 -42.49 59.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 51.6 t -58.54 -53.49 57.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 108.282 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 24' ' ' LEU . 40.4 t -45.31 -60.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -50.74 -43.91 58.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -49.21 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 97.9 mt -44.54 133.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 164.09 26.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.883 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -169.51 62.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 36' ' ' LEU . 1.7 t70 40.87 -90.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . -76.54 38.2 1.44 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.883 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -113.57 109.14 18.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -103.05 136.29 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m95 -106.73 79.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -37.74 -60.96 1.16 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.563 1.165 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER 161.88 129.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.468 ' OG ' ' CG ' ' A' ' 25' ' ' GLU . 57.5 p -85.76 155.63 20.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 166.25 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 52' ' ' LYS . 1.4 mm? -117.83 151.59 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.66 99.51 6.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.69 19.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.26 -35.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.02 -122.17 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.533 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 25.2 p90 -139.11 97.42 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.26 -50.3 0.88 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.592 1.183 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.9 mp -96.04 163.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -152.54 163.96 38.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.533 ' O ' HD13 ' A' ' 43' ' ' LEU . 2.2 mttt -85.68 138.68 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.634 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.46 72.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 3.2 tt0 -100.0 144.77 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.579 HG13 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.29 149.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -115.89 144.09 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -148.55 152.54 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 91' ' ' ILE . 13.7 t -117.93 85.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.0 m -84.54 173.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.12 178.63 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.63 2.69 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -155.06 24.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -126.38 -78.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 65' ' ' GLY . 40.8 t -107.17 165.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 64' ' ' VAL . . . -131.34 -98.11 0.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.452 HG23 ' HE1' ' A' ' 83' ' ' MET . 0.9 OUTLIER -164.63 -40.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 5.4 p-10 -36.93 -46.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 9.2 ttp -63.6 -57.71 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.95 -42.6 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 74' ' ' THR . 3.2 tt0 -58.07 -54.43 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.957 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -67.25 -8.73 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 68' ' ' MET . 1.1 mm100 -96.11 -53.69 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -73.78 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -60.21 -20.97 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.957 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -40.54 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -89.57 86.96 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -73.51 -4.56 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.55 16.6 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.68 -43.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.817 HG13 ' CG1' ' A' ' 12' ' ' VAL . 86.5 t -84.1 123.0 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.581 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.1 tt0 -84.33 -29.11 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.4 m 163.45 117.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.486 ' HE3' HD23 ' A' ' 10' ' ' LEU . 5.9 ttt -78.59 157.86 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.6 m-20 -149.42 -174.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.83 124.98 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -84.85 -21.57 29.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.192 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 173.64 145.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.13 88.25 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -143.73 -174.7 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -74.4 164.11 26.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.776 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HD2' HG12 ' A' ' 58' ' ' VAL . 17.3 mmtt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 31.9 t -145.87 161.95 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.625 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -107.43 143.68 35.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.74 HG22 ' CD1' ' A' ' 10' ' ' LEU . 5.0 mp -143.66 98.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 23.1 tp -86.34 125.87 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.74 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.9 mp -108.57 151.85 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.44 83.4 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.605 ' CG1' HG13 ' A' ' 80' ' ' VAL . 6.1 t -87.19 143.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -111.33 132.76 21.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.93 161.26 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -68.6 -31.76 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 108.052 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.41 -172.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -21.91 60.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.63 -38.37 80.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' MET . 24.2 m -46.6 108.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.27 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.219 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.474 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -58.47 -42.49 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -54.61 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.589 HD22 HD12 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -55.88 -41.76 74.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.96 -46.43 68.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.8 mm-40 -65.74 -63.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -42.16 -57.14 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.567 HG11 HG21 ' A' ' 55' ' ' ILE . 2.2 t -39.53 -45.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLU . 8.0 mtp180 -74.68 -44.56 49.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 p -49.91 -38.46 36.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' VAL . 92.2 mt -45.08 125.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -130.27 121.22 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.695 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -128.58 169.0 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.83 142.64 54.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 44.37 25.68 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.964 HD11 HD21 ' A' ' 69' ' ' LEU . 3.2 tt -106.31 127.99 53.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -117.51 143.4 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m95 -109.35 108.29 18.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.97 -134.28 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -112.57 134.3 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 99.3 p -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.89 156.15 49.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.3 mm? -121.23 149.45 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 43' ' ' LEU . 50.7 t -154.78 101.51 2.34 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.44 35.2 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.594 1.839 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.81 -92.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.172 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.71 90.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.31 -64.25 0.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.6 mp -94.81 162.57 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 0.81 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -153.57 159.28 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 148.79 26.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.589 HD12 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -109.45 74.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' CD ' HD21 ' A' ' 9' ' ' LEU . 8.3 tt0 -96.36 136.96 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.567 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.19 156.05 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.495 ' HB2' HD13 ' A' ' 9' ' ' LEU . 2.4 tp-100 -121.0 141.3 50.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 1.078 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -130.6 162.63 28.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.593 HG13 HD11 ' A' ' 91' ' ' ILE . 17.4 t -124.47 107.16 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.654 HG22 ' CD1' ' A' ' 8' ' ' ILE . 8.5 m -98.08 172.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.3 mm-40 -91.79 78.42 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' A' ' 62' ' ' ASP . 2.8 t70 59.31 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLU . 19.4 t0 -137.37 26.34 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -50.49 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 36' ' ' LEU . 97.2 t -106.95 123.12 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.24 164.8 15.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.672 ' CG2' HD21 ' A' ' 10' ' ' LEU . 20.0 m -75.05 -21.24 59.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 0.697 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.98 -59.32 1.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.413 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 1.7 ttp -58.26 -51.34 70.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.964 HD21 HD11 ' A' ' 36' ' ' LEU . 36.7 mt -52.15 -51.68 56.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 74' ' ' THR . 5.6 tt0 -54.5 -54.84 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.945 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 20.7 mm-40 -59.57 -14.2 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' OE1' ' CE ' ' A' ' 68' ' ' MET . 1.8 tt0 -95.89 -49.66 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 31' ' ' ILE . 8.8 mt -75.43 -65.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.461 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -54.11 -20.89 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.945 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -44.19 -31.28 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -88.83 89.33 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -75.71 -8.28 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -92.0 9.3 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 32.5 m-85 -142.05 -42.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.605 HG13 ' CG1' ' A' ' 12' ' ' VAL . 59.2 t -83.97 124.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 4.7 tt0 -85.01 -35.38 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 p 171.16 103.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.935 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.471 ' CG ' ' N ' ' A' ' 84' ' ' ASP . 8.8 ttt -75.2 158.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 111.059 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 83' ' ' MET . 1.9 m-20 -150.17 -175.82 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -108.64 134.08 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -95.43 -32.51 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 173.95 176.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.21 90.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -146.01 172.69 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -88.81 159.43 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 13.9 mmtp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.77 148.53 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.621 ' O ' HD13 ' A' ' 8' ' ' ILE . 3.3 t -88.06 148.15 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 7' ' ' SER . 11.6 mm -141.99 103.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 11.2 tp -107.55 101.78 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.923 HD21 HG21 ' A' ' 66' ' ' THR . 1.1 mt -99.72 138.4 36.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.45 101.19 7.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.857 HG13 HG13 ' A' ' 80' ' ' VAL . 84.8 t -89.5 154.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -113.64 128.37 25.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.03 136.32 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.566 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -45.6 -38.72 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 178.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.15 -23.74 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.58 -39.83 88.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.491 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -59.97 104.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.34 146.88 3.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.542 ' HE1' HD23 ' A' ' 53' ' ' LEU . 33.1 mmm -107.9 -10.39 15.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.79 -57.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 6.6 mttt -61.67 -44.75 96.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -57.08 -42.28 80.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.24 -56.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -55.85 -35.47 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -66.62 -52.5 44.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 55' ' ' ILE . 2.5 t -48.64 -39.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -75.03 -48.05 25.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -46.03 -42.98 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.509 HG21 ' CD2' ' A' ' 69' ' ' LEU . 67.5 mt -39.97 123.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -111.59 137.35 49.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.68 161.54 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -70.15 153.32 43.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.91 30.64 0.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 ' CD1' HD11 ' A' ' 69' ' ' LEU . 1.3 tp -106.36 131.76 53.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -126.74 109.41 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 7.9 m95 -80.62 105.87 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.25 -97.45 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -155.59 131.0 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -89.71 157.34 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -139.43 170.01 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.2 mm? -126.86 160.91 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' C ' ' A' ' 43' ' ' LEU . 81.1 t -154.32 115.82 2.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.28 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -90.87 -26.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' TYR . . . 167.75 74.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' GLY . 40.0 m-85 37.98 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.99 -83.25 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.2 mt -92.21 161.79 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -136.68 168.36 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' HD13 ' A' ' 43' ' ' LEU . 4.1 mttt -94.28 130.52 40.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.542 HD23 ' HE1' ' A' ' 21' ' ' MET . 0.2 OUTLIER -88.83 77.45 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 3.2 tt0 -104.75 145.08 30.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.737 HG21 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -149.15 155.43 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.409 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.82 144.12 50.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.53 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -146.2 161.62 39.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.616 HG13 HD11 ' A' ' 91' ' ' ILE . 10.0 t -119.92 76.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 64' ' ' VAL . 1.8 m -84.63 175.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.7 mm-40 -85.41 157.75 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 -0.04 57.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -141.62 24.78 2.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.88 -77.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 59' ' ' VAL . 1.9 t -85.6 150.2 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.44 11.57 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.067 . . . . 0.0 110.97 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.923 HG21 HD21 ' A' ' 10' ' ' LEU . 8.5 m 66.76 39.34 3.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -103.95 -57.21 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -41.66 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD11 ' CD1' ' A' ' 36' ' ' LEU . 72.4 mt -59.3 -37.82 78.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.592 ' HG3' HG21 ' A' ' 74' ' ' THR . 20.7 tt0 -65.91 -55.54 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.054 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 21.4 mt-10 -58.39 -14.97 8.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -46.05 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.431 ' CG1' ' CD1' ' A' ' 31' ' ' ILE . 16.6 mt -73.35 -55.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.592 HG21 ' HG3' ' A' ' 70' ' ' GLU . 11.8 p -71.46 -7.35 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.054 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -56.62 -21.02 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.393 1.058 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -96.3 85.16 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.37 -4.54 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.452 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -93.44 8.58 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 43.7 m-85 -144.19 -44.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.857 HG13 HG13 ' A' ' 12' ' ' VAL . 56.0 t -85.69 130.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.566 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -84.89 -35.7 22.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m 173.68 118.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.594 ' CE ' HD22 ' A' ' 10' ' ' LEU . 4.1 ttt -86.19 151.84 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 42.5 m-20 -147.26 -175.76 4.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.65 127.54 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -85.89 -18.24 33.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 168.24 161.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -143.29 90.18 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -153.58 -179.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 6.0 ttpp -90.91 163.64 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.616 HD11 HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.695 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.783 ' CA ' HG22 ' A' ' 91' ' ' ILE . 30.2 t -146.42 166.49 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.723 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -114.52 124.4 51.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mm -124.43 108.85 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 55' ' ' ILE . 34.4 tp -93.32 126.46 38.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 10.5 mp -106.44 149.96 26.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.92 93.33 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 80' ' ' VAL . 55.0 t -94.49 156.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -120.64 130.94 24.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.95 143.2 28.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -54.74 -32.81 60.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.3 175.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -30.3 3.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.34 -40.75 82.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.978 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.9 m -56.38 96.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.04 112.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 53' ' ' LEU . 53.3 mmm -70.81 -29.04 65.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.61 -35.75 79.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -44.66 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.978 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -62.54 -38.36 89.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.22 -35.21 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -75.58 -56.27 4.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 t -43.73 -53.05 6.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.55 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 11.6 t -51.32 -40.0 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -73.0 -41.68 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -50.14 -29.97 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.711 HG21 HD23 ' A' ' 69' ' ' LEU . 73.1 mt -58.43 127.96 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.84 123.07 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.18 156.99 47.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.75 125.98 25.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.04 32.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.057 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 69' ' ' LEU . 7.9 tp -91.25 134.38 34.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 38' ' ' TRP . 40.7 t -140.44 142.08 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 69.0 m95 -90.27 -174.72 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.38 -77.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.94 129.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.9 p -87.91 165.96 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -128.6 158.31 38.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.8 mm? -122.25 151.32 41.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 43' ' ' LEU . 72.7 t -151.75 100.33 2.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HB3' ' CE ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.99 141.8 27.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -88.81 -62.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.31 -93.39 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.566 1.167 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -155.77 87.66 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.79 -49.09 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.6 mp -103.29 161.74 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 45' ' ' PRO . 7.4 mttt -150.74 165.87 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 43' ' ' LEU . 6.5 tttt -84.77 155.21 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.59 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -116.05 61.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.472 ' CD ' HD21 ' A' ' 9' ' ' LEU . 4.4 tt0 -88.23 137.78 32.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -144.7 145.57 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.604 ' HB2' HD13 ' A' ' 9' ' ' LEU . 30.4 tp60 -114.93 142.83 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 7.6 p -136.76 177.46 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.714 HG13 HG21 ' A' ' 91' ' ' ILE . 22.8 t -134.73 84.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.3 175.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 63' ' ' LYS . 3.0 mm-40 -83.95 170.16 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -134.37 24.34 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.16 -46.79 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 36' ' ' LEU . 55.1 t -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.92 174.18 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 66' ' ' THR . 26.1 m -75.82 51.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 0.722 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 2.3 tmm? -71.39 -47.1 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 36' ' ' LEU . 1.6 mt -54.28 -42.7 70.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CE ' ' A' ' 83' ' ' MET . 4.4 tt0 -59.15 -55.11 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.046 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 8.8 mt-10 -63.77 -9.78 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 68' ' ' MET . 5.5 mm-40 -97.92 -47.73 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.433 HG23 HG22 ' A' ' 28' ' ' VAL . 6.5 mt -71.14 -53.08 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 18.3 p -74.29 -2.55 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.046 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -65.16 -11.7 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.91 92.68 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.7 mt-10 -83.28 -5.77 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.544 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -99.66 19.9 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 25.2 m-85 -154.68 -43.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 12' ' ' VAL . 77.1 t -85.64 128.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 7.3 tt0 -84.72 -36.14 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.5 p 174.56 111.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 4.6 ttt -81.25 149.99 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 2.0 m-20 -152.3 -174.35 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.507 HG21 ' CD2' ' A' ' 88' ' ' PHE . 9.5 p -107.1 136.52 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.25 -26.48 18.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.18 164.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -142.11 98.47 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -154.3 172.18 18.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -78.3 172.74 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.783 HG22 ' CA ' ' A' ' 6' ' ' SER . 1.1 tt . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.739 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.518 ' HE2' HG12 ' A' ' 58' ' ' VAL . 7.1 mtmm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.651 ' HA ' HG22 ' A' ' 91' ' ' ILE . 13.2 t -135.6 170.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.702 ' HB2' HD13 ' A' ' 91' ' ' ILE . 10.3 t -130.69 128.51 41.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.055 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.628 HD13 ' O ' ' A' ' 7' ' ' SER . 25.1 mm -118.86 115.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 19.6 tp -92.02 106.05 18.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.615 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.5 mp -92.1 146.56 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -124.48 93.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 80' ' ' VAL . 59.5 t -91.57 149.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 tptt -113.64 132.92 22.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.02 146.64 32.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.589 1.836 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -56.94 -27.58 61.21 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.49 -171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -23.47 63.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.31 -39.43 89.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.793 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.1 m -62.44 97.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.75 154.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -38.36 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -62.0 2.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.71 -57.43 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.793 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER -48.06 -53.0 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -61.16 -57.77 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.7 mm-40 -50.86 -56.78 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -38.07 -68.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 108.338 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.935 HG22 HD12 ' A' ' 73' ' ' ILE . 40.2 t -39.35 -45.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 ttp180 -65.95 -51.45 58.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -38.65 -50.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 73' ' ' ILE . 3.0 mt -39.49 122.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -130.02 146.61 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.898 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -161.33 143.93 12.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.53 -54.92 22.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.29 28.35 6.29 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.953 HD21 HD21 ' A' ' 69' ' ' LEU . 9.5 tp -132.2 130.68 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.9 t -128.85 139.98 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 11.9 m95 -105.03 112.74 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -78.79 0.63 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.8 p -176.67 131.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.943 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 79.5 p -86.47 159.94 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' HD22 ' A' ' 43' ' ' LEU . 2.3 mtpp -131.3 158.68 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.8 mm? -121.49 148.4 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.472 HG23 ' C ' ' A' ' 43' ' ' LEU . 95.2 t -155.46 111.26 2.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 18.3 Cg_endo -74.94 134.1 17.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.8 -47.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.03 155.36 47.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -39.19 -50.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 0.741 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.88 24.79 3.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 14' ' ' PRO . 4.3 mp -115.72 162.67 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.8 mttt -130.03 165.9 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.607 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.2 ttpt -84.6 146.59 27.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -105.37 60.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -86.37 138.26 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.659 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -146.77 146.75 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 4.1 tp-100 -116.69 141.98 47.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.9 p -134.77 169.57 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.518 HG12 ' HE2' ' A' ' 5' ' ' LYS . 82.3 t -133.26 80.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 36' ' ' LEU . 10.1 m -84.11 176.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -81.72 -178.98 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 -50.7 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -139.34 25.41 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -33.75 6.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -149.04 131.48 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . . . -123.14 179.85 16.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.596 ' CG2' HD21 ' A' ' 10' ' ' LEU . 88.0 m -76.33 53.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -112.82 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -49.68 -39.83 37.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.953 HD21 HD21 ' A' ' 36' ' ' LEU . 11.0 mt -61.24 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.508 ' CG ' HG21 ' A' ' 74' ' ' THR . 21.4 tt0 -46.06 -57.49 4.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.054 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -49.41 -20.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.1 tt0 -98.83 -48.14 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.935 HD12 HG22 ' A' ' 28' ' ' VAL . 8.0 mm -64.98 -57.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.537 HG22 ' CB ' ' A' ' 83' ' ' MET . 51.6 p -69.42 -17.69 63.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.054 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -47.69 -27.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -93.32 97.19 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -86.92 -5.48 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.01 22.08 10.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 20.7 m-85 -154.99 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 12' ' ' VAL . 55.6 t -84.74 127.45 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 13.1 tt0 -84.69 -32.71 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 p 172.18 112.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.537 ' CB ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER -84.92 151.12 24.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.67 -172.73 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.3 t -112.31 133.4 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -92.43 -28.95 16.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.71 149.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.66 97.7 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -153.14 168.97 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 7.6 ttpp -77.16 163.91 26.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.763 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.815 ' HD2' HG12 ' A' ' 58' ' ' VAL . 20.7 mmtt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.641 ' CA ' HG22 ' A' ' 91' ' ' ILE . 33.3 t -154.82 166.31 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.853 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -115.1 130.38 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -137.88 119.58 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 55' ' ' ILE . 16.9 tp -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.695 HD22 ' SD ' ' A' ' 83' ' ' MET . 4.4 mt -121.28 146.66 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.54 105.65 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 80' ' ' VAL . 18.7 t -92.84 147.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.64 127.68 26.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.97 134.38 17.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 12.8 m95 -48.57 -30.29 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 18' ' ' GLU . 4.2 m-20 177.3 166.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -27.23 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 16' ' ' ASP . 20.4 pt-20 -57.94 -37.29 73.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.727 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.7 m -57.58 102.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.33 102.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.921 ' HE1' HD23 ' A' ' 53' ' ' LEU . 76.0 mmm -61.55 -34.74 76.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.32 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -45.7 49.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.21 -40.05 88.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.26 -45.82 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -65.05 -52.9 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 48.3 t -40.89 -63.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.612 HG11 HG21 ' A' ' 55' ' ' ILE . 2.2 t -39.79 -47.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.05 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -44.1 -28.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 29.6 mm -56.73 121.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -112.52 133.61 54.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.865 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 120.04 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.31 -49.09 9.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' HG21 ' A' ' 64' ' ' VAL . . . -87.93 33.48 3.99 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.865 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 12.4 tp -132.91 124.88 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 0.733 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -117.12 104.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 11.6 m95 -79.18 108.1 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.62 -108.65 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.47 131.48 36.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 0.711 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.2 p -90.57 155.03 19.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.051 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.67 154.72 36.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.8 mm? -120.87 153.76 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 43' ' ' LEU . 86.2 t -152.71 120.87 3.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -75.05 139.6 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' HG12 ' A' ' 46' ' ' VAL . 84.2 t -148.61 58.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.063 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.43 112.72 2.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -37.22 106.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.37 -41.51 2.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 4.3 mt -94.39 161.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -155.41 162.83 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.599 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -86.17 148.19 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.921 HD23 ' HE1' ' A' ' 21' ' ' MET . 0.2 OUTLIER -114.08 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.65 ' NE2' HD21 ' A' ' 9' ' ' LEU . 2.8 tt0 -104.92 141.13 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.782 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -144.71 159.43 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.667 ' NE2' HD13 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -135.18 141.47 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.589 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 8.4 p -148.0 -180.0 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.214 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 1.054 HG22 HD13 ' A' ' 91' ' ' ILE . 99.0 t -131.06 104.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 5' ' ' LYS . 4.0 m -84.46 173.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -92.12 74.4 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 t70 57.7 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 60' ' ' GLU . 8.6 t0 -135.98 25.38 3.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.15 -53.71 5.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.5 t -106.04 98.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 165.16 43.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.418 HG21 HD21 ' A' ' 10' ' ' LEU . 1.2 m -75.27 -20.34 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.443 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -46.09 -51.69 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -42.27 94.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 11.9 mt -61.99 -40.24 94.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.627 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 29.1 tt0 -74.91 -25.33 58.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -73.91 -16.31 61.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.735 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 6.1 pt20 -116.37 -47.42 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 89.7 mt -56.72 -83.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 38.4 p -54.07 -18.44 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 72' ' ' GLN . . . -40.24 -29.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' THR . 1.4 m-85 -87.38 79.46 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 2.9 tt0 -70.35 -4.97 24.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -90.18 13.91 13.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 42.1 m-85 -155.44 -42.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG22 HG11 ' A' ' 12' ' ' VAL . 24.1 t -84.02 129.48 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 18.8 tt0 -86.69 -37.02 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m 167.3 119.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.695 ' SD ' HD22 ' A' ' 10' ' ' LEU . 51.8 ttp -81.04 151.9 28.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 151.59 44.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 88' ' ' PHE . 4.2 p -89.62 124.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 -22.96 27.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.18 162.08 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -149.79 87.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -155.09 -178.82 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.79 167.2 22.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.054 HD13 HG22 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.782 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HE2' HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.865 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -155.28 171.31 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.797 ' CB ' HD12 ' A' ' 91' ' ' ILE . 3.2 t -127.88 145.14 51.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.732 HD13 HG22 ' A' ' 59' ' ' VAL . 4.2 mp -132.99 123.55 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.859 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 16.3 tp -92.85 100.84 13.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.85 HD21 HG23 ' A' ' 66' ' ' THR . 7.8 mp -84.53 148.8 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 18.9 t0 -131.47 102.26 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.808 ' CG1' HG13 ' A' ' 80' ' ' VAL . 39.7 t -101.54 151.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.3 tttt -113.78 131.99 22.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.98 155.4 43.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -67.43 -22.6 65.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.34 170.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -27.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 23.5 pt-20 -59.04 -48.95 79.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.92 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.0 m -43.92 102.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.69 105.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 mtt -67.67 -22.62 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.62 55.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -45.62 33.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.92 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.52 -40.77 88.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 3.5 tt0 -75.22 -31.42 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -63.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -41.81 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.614 HG13 ' CH2' ' A' ' 38' ' ' TRP . 2.1 t -40.25 -47.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -41.7 79.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.7 p -52.5 -35.7 53.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 97.1 mt -50.31 126.77 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.51 157.25 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.18 131.05 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.06 64.28 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 69' ' ' LEU . 5.7 tp -101.36 124.66 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.14 134.21 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CH2' HG13 ' A' ' 28' ' ' VAL . 76.0 m95 -102.49 82.55 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.031 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -43.61 -53.94 5.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.452 1.095 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER 160.98 135.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.928 ' HB2' HG22 ' A' ' 55' ' ' ILE . 77.5 p -85.24 167.02 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -137.7 165.13 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 43' ' ' LEU . 1.4 mm? -122.93 152.23 41.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 ' C ' ' A' ' 43' ' ' LEU . 84.4 t -154.25 99.63 2.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.45 25.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -102.47 -41.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.37 -128.99 2.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -130.06 88.01 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.95 -53.75 0.55 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.19 159.11 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -147.12 168.79 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.69 126.73 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -90.32 72.6 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 42' ' ' LYS . 2.4 mt-30 -96.88 137.11 36.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -136.77 161.42 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 58.5 tt0 -129.32 145.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 p -142.43 176.61 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 5' ' ' LYS . 77.6 t -134.96 74.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.903 HG12 HD12 ' A' ' 36' ' ' LEU . 33.2 m -85.56 175.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -84.44 171.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.31 4.47 15.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 18.3 t0 -155.88 25.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -125.73 -76.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.21 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.614 HG22 ' H ' ' A' ' 65' ' ' GLY . 3.6 p -119.15 177.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 64' ' ' VAL . . . -133.68 178.76 18.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.85 HG23 HD21 ' A' ' 10' ' ' LEU . 3.2 m -74.17 -22.27 59.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -38.0 -56.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 36' ' ' LEU . 11.3 mt -46.74 -65.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -45.09 -57.78 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.042 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.65 -24.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.44 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 7.4 tt0 -95.33 -40.39 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.1 mt -71.1 -67.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.487 ' HA ' HG21 ' A' ' 80' ' ' VAL . 2.9 t -58.59 -23.77 59.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.042 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -39.44 -30.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.78 69.75 9.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.65 -13.71 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.39 14.87 5.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.478 ' CD2' ' CD1' ' A' ' 76' ' ' PHE . 95.3 m-85 -151.77 -41.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.808 HG13 ' CG1' ' A' ' 12' ' ' VAL . 61.1 t -83.44 128.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -86.48 -31.17 21.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m 169.61 112.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.16 152.46 32.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.09 -173.17 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.84 134.26 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -93.36 -35.34 13.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.072 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.25 -177.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -154.68 110.85 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -138.05 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 0.4 OUTLIER -98.85 136.57 38.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.865 ' H ' ' HA ' ' A' ' 6' ' ' SER . 5.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.705 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 4.9 mmtp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.71 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 32.2 t -155.37 163.58 39.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.717 ' HB2' HD13 ' A' ' 91' ' ' ILE . 1.4 t -118.91 101.49 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.751 HG22 ' CD1' ' A' ' 10' ' ' LEU . 8.6 mm -86.31 107.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 55' ' ' ILE . 12.2 tp -96.05 117.73 31.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.751 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.3 mp -109.19 149.23 29.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.88 91.93 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.598 ' CG1' HG13 ' A' ' 80' ' ' VAL . 29.2 t -88.75 148.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 128.11 25.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 142.96 28.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.423 1.749 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -48.02 -34.08 8.9 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.63 -176.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -18.13 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -71.84 -32.64 67.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.669 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.2 m -64.06 105.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 110.6 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.516 ' SD ' HD23 ' A' ' 53' ' ' LEU . 36.3 mmm -72.99 -29.38 63.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.188 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.84 80.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -73.02 -49.92 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.669 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -57.51 -39.99 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -68.15 -63.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.6 mm-40 -54.36 -52.26 62.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 41.6 t -43.71 -58.46 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.407 HG22 HG12 ' A' ' 73' ' ' ILE . 2.1 t -47.9 -48.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -27.79 69.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.4 p -66.93 -9.33 37.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.922 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.692 HD12 ' HG2' ' A' ' 72' ' ' GLN . 18.3 mm -73.53 128.89 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.03 151.01 34.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -171.95 147.67 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.52 150.33 46.93 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.4 16.72 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.706 HD12 ' CG1' ' A' ' 59' ' ' VAL . 0.5 OUTLIER -102.41 138.36 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -138.73 97.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 12.9 m95 -65.17 102.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.042 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.82 -68.28 1.68 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.72 148.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 68.3 p -98.41 158.3 15.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.24 160.59 27.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.2 mm? -119.9 155.22 33.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG23 ' C ' ' A' ' 43' ' ' LEU . 93.1 t -154.04 101.05 2.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.62 22.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.76 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 47' ' ' GLY . 24.5 t -84.48 -85.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' HG12 ' A' ' 46' ' ' VAL . . . -146.66 -46.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -157.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.22 13.84 56.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mp -102.88 158.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 9.1 mtpt -137.82 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.2 tttt -87.92 143.69 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.516 HD23 ' SD ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -100.63 75.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.3 tt0 -97.49 142.89 28.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -147.89 152.44 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.4 tt0 -132.09 139.64 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.601 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -129.86 -170.77 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.746 HG13 HG21 ' A' ' 91' ' ' ILE . 57.1 t -153.5 73.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.706 ' CG1' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.17 174.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -82.06 172.76 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.34 8.76 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.69 25.83 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' CD ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -113.15 -89.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.694 ' O ' HG21 ' A' ' 59' ' ' VAL . 21.6 t -109.4 148.24 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.96 -82.59 1.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.105 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.505 ' OG1' HG21 ' A' ' 8' ' ' ILE . 1.1 m -170.86 -40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.813 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.22 -57.49 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -57.02 -60.26 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 72.1 mt -50.29 -32.02 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.681 ' HG3' HG21 ' A' ' 74' ' ' THR . 24.1 tt0 -72.37 -57.24 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.997 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -57.12 -16.64 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.692 ' HG2' HD12 ' A' ' 31' ' ' ILE . 1.7 tt0 -99.4 -43.32 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 63.8 mt -75.32 -60.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.681 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.8 p -67.17 -13.49 62.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.997 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -45.74 -26.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -89.04 79.0 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.05 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.96 -5.47 31.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.42 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 4.1 t70 -94.63 10.32 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 59.6 m-85 -145.31 -44.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.598 HG13 ' CG1' ' A' ' 12' ' ' VAL . 48.5 t -84.35 125.94 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.1 tt0 -84.91 -38.7 19.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.054 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.7 p -179.85 128.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.47 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 6.1 ttt -104.56 154.06 20.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 83' ' ' MET . 1.6 m-20 -147.09 -175.24 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.61 124.69 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -84.9 -25.78 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 164.9 161.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -143.41 85.0 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -129.4 169.18 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 136.9 34.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.746 HG21 HG13 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.777 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HE2' HG12 ' A' ' 58' ' ' VAL . 2.4 mmmm . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 91' ' ' ILE . 22.3 t -155.67 165.74 35.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.545 ' HB2' HD12 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -119.93 142.46 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.046 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.497 ' CD1' HG22 ' A' ' 59' ' ' VAL . 4.7 mp -139.91 116.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.604 HD21 ' OE1' ' A' ' 54' ' ' GLN . 22.6 tp -87.27 117.63 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD21 HG23 ' A' ' 66' ' ' THR . 6.5 mp -99.86 153.47 19.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.68 94.75 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 80' ' ' VAL . 31.0 t -85.17 147.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 122.32 34.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.02 133.65 16.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.428 1.751 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 27.9 m95 -43.11 -39.29 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.6 177.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -29.19 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.12 -43.12 73.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.785 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.2 m -56.63 99.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 142.43 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.85 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -100.48 -9.74 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.68 -30.5 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -86.74 -47.9 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.785 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.15 -37.99 75.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.1 -36.56 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.3 tt0 -72.58 -59.12 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLU . 20.8 t -41.64 -64.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.773 HG11 HG21 ' A' ' 55' ' ' ILE . 2.4 t -40.11 -39.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -75.44 -54.09 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ILE . 86.0 p -38.46 -46.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.792 HG21 HD23 ' A' ' 69' ' ' LEU . 87.0 mt -39.96 127.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.77 150.88 50.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.944 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -164.18 146.59 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.27 -52.91 63.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.53 26.14 8.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.944 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -121.75 124.51 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.374 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.77 99.66 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.607 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m95 -66.02 140.31 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 107.985 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.05 -94.79 2.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.54 134.76 15.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.067 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -97.83 157.76 15.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -134.76 163.84 28.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.9 mm? -121.49 159.59 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 43' ' ' LEU . 53.1 t -155.23 99.0 2.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.86 -32.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.14 -61.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 175.25 -34.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.55 -58.24 2.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.1 mp -92.82 161.11 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 19.9 mtmt -148.72 160.24 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -86.59 143.89 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.85 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -112.95 73.74 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.604 ' OE1' HD21 ' A' ' 9' ' ' LEU . 3.2 tt0 -100.93 141.42 33.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.773 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -150.09 157.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -121.76 142.76 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.607 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -132.31 -171.73 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 108.216 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.637 HG22 HD13 ' A' ' 91' ' ' ILE . 84.9 t -151.23 78.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.7 m -84.51 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -84.32 173.38 11.0 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.62 3.95 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -160.42 26.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -132.33 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.844 HG13 ' OD1' ' A' ' 67' ' ' ASP . 96.9 t -129.61 141.79 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 66' ' ' THR . . . -145.31 87.27 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.739 HG23 HD21 ' A' ' 10' ' ' LEU . 41.0 m 35.09 42.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.757 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.844 ' OD1' HG13 ' A' ' 64' ' ' VAL . 3.1 p-10 -101.03 -60.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.553 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 2.6 ttp -68.96 -47.52 65.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.792 HD23 HG21 ' A' ' 31' ' ' ILE . 21.0 mt -51.91 -31.83 30.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 74' ' ' THR . 13.2 tt0 -73.0 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.939 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -59.97 -11.15 5.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.553 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 2.8 mm-40 -102.2 -52.48 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.559 HG12 HG22 ' A' ' 28' ' ' VAL . 45.5 mt -67.82 -50.75 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 70' ' ' GLU . 3.2 p -78.2 4.65 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.939 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -73.7 -7.99 54.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.51 79.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -4.99 39.09 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.73 17.84 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -155.03 -43.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 12' ' ' VAL . 68.8 t -84.53 131.07 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 20.5 tt0 -84.95 -36.08 21.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 p 172.89 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 84' ' ' ASP . 6.4 ttp -79.98 149.23 30.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 83' ' ' MET . 3.7 m-20 -143.98 -175.67 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.22 126.13 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 -20.49 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.44 165.59 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.89 88.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -142.93 172.44 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.557 ' HG3' ' H ' ' A' ' 91' ' ' ILE . 11.9 tttt -74.95 164.42 26.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.637 HD13 HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.793 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 12.1 mmtp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 128.82 12.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.609 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.92 95.88 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.587 HG12 ' CD1' ' A' ' 88' ' ' PHE . 2.7 mp -84.82 142.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 56' ' ' GLN . 43.4 tp -117.03 99.56 7.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.645 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -89.42 129.83 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -103.18 97.28 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.675 HG13 HG13 ' A' ' 80' ' ' VAL . 60.1 t -84.95 151.1 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 127.12 25.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 144.35 29.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 4.7 m95 -58.14 -27.84 64.14 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -178.47 -176.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -21.29 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -23.59 66.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.657 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.5 m -66.37 109.74 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.88 95.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 53' ' ' LEU . 28.5 mmm -62.41 -30.38 71.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.09 79.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.42 20.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.657 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -56.13 -41.3 75.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.27 -47.58 49.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -61.72 -61.24 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -47.37 -47.82 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.579 HG11 HG21 ' A' ' 55' ' ' ILE . 1.3 t -44.66 -44.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -44.05 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -49.17 -24.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 72' ' ' GLN . 56.6 mt -54.86 128.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 138.79 47.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.78 155.52 25.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 132.7 50.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.51 8.17 59.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.993 HD12 HG12 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -102.14 116.94 33.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 135.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.487 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 24.7 m95 -94.16 121.22 35.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.0 -91.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.98 130.34 11.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 90.4 p -88.5 161.61 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.46 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -128.73 154.97 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.5 mm? -124.15 148.61 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' LYS . 1.8 t -151.3 134.98 9.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.93 138.63 23.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' PRO . 6.1 t -154.4 126.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.9 -147.4 29.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 107.29 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.13 -0.13 84.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mt -102.42 162.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -144.96 168.32 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.698 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -93.46 135.66 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.631 HD23 ' SD ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -102.74 68.63 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.243 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.618 ' OE1' HD21 ' A' ' 9' ' ' LEU . 12.6 tt0 -97.1 140.63 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.785 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -150.56 152.05 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.84 ' HB2' HD13 ' A' ' 9' ' ' LEU . 33.4 tt0 -116.94 141.73 47.85 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 1.063 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.487 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -116.63 -166.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 58' ' ' VAL . 94.6 t -151.39 59.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.993 HG12 HD12 ' A' ' 36' ' ' LEU . 2.2 m -83.98 163.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -81.94 4.76 21.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.55 25.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 -92.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 65' ' ' GLY . 71.8 t -108.58 165.62 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.504 ' N ' HG12 ' A' ' 64' ' ' VAL . . . -135.04 -162.08 9.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.467 HG23 ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -74.97 -30.67 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -39.18 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -39.35 -56.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -49.83 -58.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.685 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 53.4 tt0 -50.71 -52.18 42.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.858 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -65.38 -9.78 27.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' HD13 ' A' ' 31' ' ' ILE . 1.6 tt0 -97.83 -50.97 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.79 -63.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -54.81 -23.87 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.06 82.09 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 5.2 mm-40 -69.89 -9.57 55.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.22 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.37 10.13 23.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -147.62 -41.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.675 HG13 HG13 ' A' ' 12' ' ' VAL . 61.7 t -83.37 127.9 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 27.3 tt0 -84.84 -35.01 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 p 168.57 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.685 ' HE1' ' HB2' ' A' ' 70' ' ' GLU . 24.0 ttp -77.11 150.72 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 83' ' ' MET . 0.8 OUTLIER -142.42 -174.97 4.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.634 1.209 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.37 137.86 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.203 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -110.7 -20.44 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -176.29 145.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.587 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -155.46 85.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -155.73 -177.54 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 140.82 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.609 HD12 ' CB ' ' A' ' 7' ' ' SER . 34.6 mt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.778 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HE2' HG12 ' A' ' 58' ' ' VAL . 1.1 mmmm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.718 ' HA ' HG22 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -157.39 172.19 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.542 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -117.04 147.37 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.543 HG22 ' CD1' ' A' ' 10' ' ' LEU . 3.1 mp -144.93 129.08 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 55' ' ' ILE . 18.7 tp -102.95 111.21 23.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.961 HD21 HG23 ' A' ' 66' ' ' THR . 5.4 mp -101.54 141.49 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.76 107.91 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.591 HG12 ' CG1' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -108.13 129.34 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.9 tttt -88.89 137.54 29.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.92 143.14 28.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -54.53 -21.88 11.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER 163.09 166.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' A' ' 16' ' ' ASP . 0.5 OUTLIER -40.83 -31.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' ASP . 11.4 pt-20 -56.98 -51.0 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.9 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -39.98 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.24 99.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.638 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.4 mtp -66.13 -18.36 65.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.59 50.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -37.04 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.9 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -67.38 -41.12 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -52.2 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -58.31 -55.72 31.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.7 t -48.39 -53.54 17.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -48.01 -38.12 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -34.98 62.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 p -69.23 -26.94 65.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.776 HD12 ' HG2' ' A' ' 72' ' ' GLN . 22.1 mm -44.5 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.061 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 139.83 51.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.511 ' N ' HD23 ' A' ' 36' ' ' LEU . . . -159.79 167.47 28.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -76.74 140.26 40.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.22 16.88 36.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.051 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.629 HD13 HD11 ' A' ' 69' ' ' LEU . 8.1 tp -93.88 142.29 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.757 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.53 114.45 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 17.8 m95 -84.29 123.0 29.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 107.996 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 -80.9 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -164.72 134.85 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -91.54 155.1 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 153.5 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.7 mm? -114.67 160.69 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' LEU . 2.7 t -153.72 100.43 2.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.47 23.04 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.35 -70.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 48' ' ' TYR . . . -173.92 174.82 46.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 2.5 t80 68.61 -63.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.784 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.04 40.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.421 HG23 ' HG2' ' A' ' 14' ' ' PRO . 12.6 mt -129.58 157.16 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' HB3' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.28 169.45 17.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 125.51 37.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.638 HD23 ' HE2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -85.01 63.34 8.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.69 137.07 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.598 HG21 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -147.29 156.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 7.2 tm0? -122.82 144.03 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 1.067 . . . . 0.0 110.39 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -147.19 155.18 41.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 91' ' ' ILE . 21.7 t -108.83 77.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 69' ' ' LEU . 2.2 m -84.03 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -84.27 172.61 11.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.3 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.57 5.15 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.428 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 5.0 t70 -91.02 -67.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.86 -24.45 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 60' ' ' GLU . 21.7 t -83.97 151.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.51 170.56 37.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.961 HG23 HD21 ' A' ' 10' ' ' LEU . 1.6 m -72.92 -26.14 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -72.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -65.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.629 HD11 HD13 ' A' ' 36' ' ' LEU . 41.1 mt -44.51 -47.17 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.615 ' HG3' HG21 ' A' ' 74' ' ' THR . 14.8 tt0 -61.41 -50.34 73.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.999 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.5 mm-40 -59.06 -14.3 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.776 ' HG2' HD12 ' A' ' 31' ' ' ILE . 2.1 tt0 -101.26 -49.25 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.84 -56.46 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.615 HG21 ' HG3' ' A' ' 70' ' ' GLU . 9.6 p -72.22 -6.19 41.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.999 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -60.12 -20.31 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.0 85.3 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 8.8 mt-10 -79.71 -4.21 50.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.68 12.63 24.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -149.34 -43.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' HG12 ' A' ' 12' ' ' VAL . 97.7 t -84.27 128.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.574 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.3 tt0 -84.55 -35.97 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -176.97 131.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.478 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 1.3 tmt? -104.36 151.83 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.92 -173.16 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.8 131.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -93.79 -20.53 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.79 161.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.68 89.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -143.87 -176.15 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' CD ' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.1 146.79 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.955 HD13 HG22 ' A' ' 58' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.772 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 34.1 t -154.78 166.91 31.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.445 1.091 . . . . 0.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.778 ' C ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -114.56 147.1 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.97 HD13 HG13 ' A' ' 59' ' ' VAL . 4.8 mp -145.0 101.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 54' ' ' GLN . 8.7 tp -85.99 131.89 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.771 HD21 ' CG2' ' A' ' 66' ' ' THR . 9.6 mp -120.71 153.01 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.81 127.38 26.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.772 HG13 HG13 ' A' ' 80' ' ' VAL . 68.7 t -120.45 150.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 125.69 29.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.77 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 20.2 m95 -48.72 -35.5 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -167.23 -175.99 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -21.5 66.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.09 -37.52 85.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.864 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.8 m -49.93 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -46.12 128.11 9.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.796 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -79.48 -32.75 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -62.2 -45.59 92.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -53.12 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.864 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.44 -39.95 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -75.3 -40.13 58.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' ALA . 2.5 tt0 -67.45 -54.13 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 49.7 t -40.99 -56.42 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.913 HG22 HG12 ' A' ' 73' ' ' ILE . 21.0 t -50.2 -68.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -44.85 -49.35 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -41.12 -31.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.451 HD11 HG13 ' A' ' 73' ' ' ILE . 44.6 mt -55.95 119.35 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.75 143.7 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.951 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -163.3 129.27 3.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -46.51 -47.92 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' C ' HG21 ' A' ' 64' ' ' VAL . . . -89.67 24.56 14.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.409 1.068 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.951 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 2.0 tp -122.35 118.75 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -115.57 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.587 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 3.1 m95 -60.66 137.39 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.66 -117.91 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.614 1.197 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.9 p -129.92 131.27 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 7.6 p -89.89 159.86 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -127.01 154.02 45.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 mm? -119.17 155.45 31.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' LYS . 3.0 t -151.42 116.56 3.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 155.7 43.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 47' ' ' GLY . 47.2 t -133.69 168.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' HG12 ' A' ' 46' ' ' VAL . . . -60.27 168.86 8.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 68.73 -64.71 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 159.45 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.6 mt -114.32 163.66 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 5.0 mtpt -139.41 159.14 42.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 ttmt -93.39 148.38 22.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.796 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -108.63 69.61 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' A' ' 9' ' ' LEU . 10.7 tt0 -93.23 139.33 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.636 HG13 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -146.1 160.24 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' NE2' ' C ' ' A' ' 8' ' ' ILE . 15.4 tp60 -126.65 141.72 51.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.587 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -133.76 160.18 38.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.287 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' SER . 48.6 t -124.84 108.93 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.97 HG13 HD13 ' A' ' 8' ' ' ILE . 1.4 m -100.04 170.97 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.185 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' ASP . 4.2 mm-40 -84.23 72.11 10.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.28 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . 13.1 t70 -155.13 27.64 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 15.5 tttt -82.38 -57.08 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 35' ' ' GLY . 6.4 t -96.4 116.84 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.58 167.88 22.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.771 ' CG2' HD21 ' A' ' 10' ' ' LEU . 1.2 m -75.73 -0.51 21.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 0.792 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -59.07 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -59.97 -56.94 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 36' ' ' LEU . 1.4 mp -51.6 -50.67 59.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.583 ' HG3' HG21 ' A' ' 74' ' ' THR . 22.2 tt0 -56.14 -51.18 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 1.042 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -58.18 -15.84 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -99.69 -46.12 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.913 HG12 HG22 ' A' ' 28' ' ' VAL . 6.2 mt -69.6 -53.13 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.583 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.1 p -75.11 -1.71 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.042 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -70.15 -12.22 61.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.3 95.55 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -87.83 -5.72 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 p-10 -95.15 16.05 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 43.8 m-85 -153.2 -44.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.772 HG13 HG13 ' A' ' 12' ' ' VAL . 71.8 t -84.75 129.65 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 21.1 tt0 -84.93 -36.16 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m 174.46 115.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.488 ' CB ' HG22 ' A' ' 74' ' ' THR . 1.1 tmt? -87.2 152.06 22.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -147.84 -173.68 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.85 143.96 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -102.92 -29.0 11.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 170.77 173.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 92.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -148.84 172.41 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 91' ' ' ILE . 18.5 tttm -82.34 165.23 20.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.484 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.763 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -138.32 102.45 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 38.99 61.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HD2' HG12 ' A' ' 58' ' ' VAL . 7.9 mmtp -132.33 173.14 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.466 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.1 t -155.42 166.71 32.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.806 ' HB2' HD12 ' A' ' 91' ' ' ILE . 1.2 t -123.96 128.58 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mt -133.55 116.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 55' ' ' ILE . 16.1 tp -94.37 130.57 40.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD21 HG23 ' A' ' 66' ' ' THR . 3.7 mp -113.87 157.36 22.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.96 123.37 13.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.713 ' CG1' HG13 ' A' ' 80' ' ' VAL . 36.6 t -127.81 148.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 tttt -108.69 131.37 21.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.01 148.21 34.94 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.587 1.835 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -54.86 -34.8 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -179.6 179.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -25.84 50.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.41 -38.2 79.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.868 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.0 m -52.74 102.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.17 102.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -63.49 -34.43 77.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.28 79.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -44.9 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.96 -44.84 96.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.648 ' OE1' HD21 ' A' ' 43' ' ' LEU . 3.8 tp10 -68.68 -34.43 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 tt0 -75.51 -61.21 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 43.0 t -40.98 -53.81 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 24' ' ' LEU . 49.1 t -45.63 -45.9 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -70.86 -53.16 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 p -38.76 -47.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 77.7 mt -41.86 131.04 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.13 151.74 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -160.15 167.47 27.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.56 125.72 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.48 10.51 70.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 HG11 ' A' ' 64' ' ' VAL . 7.7 tt -94.93 122.16 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.3 t -113.46 133.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.578 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m95 -104.17 118.11 35.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.05 -147.99 23.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -95.86 141.91 28.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 0.708 . . . . 0.0 109.964 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 83.5 p -96.72 163.93 12.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' O ' HD22 ' A' ' 43' ' ' LEU . 4.3 mtpt -127.9 159.67 34.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD21 ' OE1' ' A' ' 25' ' ' GLU . 3.7 mm? -125.1 147.67 48.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 t -143.71 103.58 4.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.2 Cg_endo -75.03 137.62 21.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.95 -16.54 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.45 55.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 57.49 164.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.769 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 -59.33 1.69 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mp -107.44 158.58 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 45' ' ' PRO . 2.9 mttt -151.9 164.71 36.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.617 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -85.86 146.12 26.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.732 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -102.45 66.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -90.9 137.79 32.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.595 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.72 153.2 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.569 ' OE1' HD13 ' A' ' 9' ' ' LEU . 49.3 tp60 -115.83 144.33 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.578 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.1 p -137.05 161.21 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG22 ' CD1' ' A' ' 91' ' ' ILE . 52.4 t -127.65 95.87 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.5 HG11 ' O ' ' A' ' 64' ' ' VAL . 16.0 m -84.82 169.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -91.32 78.27 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 62.77 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.249 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -142.07 26.67 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -56.77 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.705 HG11 HD12 ' A' ' 36' ' ' LEU . 45.6 t -98.49 112.16 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.88 161.7 22.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.103 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.636 HG23 HD21 ' A' ' 10' ' ' LEU . 1.1 m -75.44 -21.24 58.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.417 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.15 -53.66 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.414 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 1.8 tmm? -64.96 -54.88 23.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 36' ' ' LEU . 5.8 mt -49.47 -44.44 45.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.634 ' HG3' HG21 ' A' ' 74' ' ' THR . 16.0 tt0 -62.13 -53.88 49.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.04 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 33.8 mt-10 -59.11 -13.59 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 2.1 mm-40 -99.62 -47.35 5.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 28' ' ' VAL . 11.7 mt -72.95 -53.62 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.634 HG21 ' HG3' ' A' ' 70' ' ' GLU . 6.3 p -75.29 -0.65 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.04 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -63.22 -14.9 54.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.88 91.63 4.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -74.74 -4.81 39.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.474 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 t70 -99.0 17.71 19.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 76.8 m-85 -151.19 -45.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 ' CG1' ' A' ' 12' ' ' VAL . 36.3 t -84.27 123.17 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 5.5 tt0 -84.13 -39.79 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.9 m -178.69 112.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.63 152.19 25.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.01 -174.6 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.58 139.42 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -98.0 -25.4 14.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.402 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 171.86 173.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.12 97.19 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -153.23 -178.41 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -75.06 170.31 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.806 HD12 ' HB2' ' A' ' 7' ' ' SER . 4.5 tt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.788 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.61 75.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -152.53 174.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 70.1 83.37 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' CD ' ' HG3' ' A' ' 60' ' ' GLU . 2.4 mmmm -106.5 171.24 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.785 ' HA ' HG22 ' A' ' 91' ' ' ILE . 30.4 t -153.05 170.86 19.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.73 ' HB2' HD13 ' A' ' 91' ' ' ILE . 26.4 t -130.47 151.1 51.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.03 120.42 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.686 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 15.8 tp -90.52 116.45 28.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.95 163.45 13.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 5.0 t0 -150.12 89.32 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.706 HG13 HG13 ' A' ' 80' ' ' VAL . 75.1 t -94.08 155.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -115.15 136.12 22.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 151.99 40.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.9 OUTLIER -62.29 -24.77 67.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.09 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -15.35 42.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.59 -34.26 62.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.632 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.3 m -67.23 88.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -40.1 122.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.687 ' HE1' HD23 ' A' ' 53' ' ' LEU . 49.9 mmm -76.55 -30.59 57.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.72 81.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -66.67 -51.2 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.853 HD13 ' HG ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.15 -41.08 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.19 -59.62 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.49 -54.97 29.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' SER . 12.2 t -42.13 -58.42 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.554 HG22 HG12 ' A' ' 73' ' ' ILE . 3.1 t -43.39 -52.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -32.42 73.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.3 p -64.65 -24.68 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 72' ' ' GLN . 9.7 mm -65.72 129.15 29.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -124.0 164.64 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.15 158.35 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.12 147.87 52.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.61 21.48 4.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.021 HD11 ' CD1' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -105.2 127.27 52.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -129.77 114.3 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 23.3 m95 -72.81 -176.9 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.6 -97.91 0.17 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.4 m -154.43 133.86 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 109.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 78.5 p -92.69 158.78 15.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.32 158.81 33.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 51' ' ' LYS . 1.8 mm? -118.38 154.28 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 43' ' ' LEU . 5.1 t -152.7 104.07 2.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 136.14 20.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.62 -74.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.16 154.83 26.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.5 -161.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 0.812 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.32 49.45 4.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.7 mt -126.89 160.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.408 0.71 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' HD12 ' A' ' 43' ' ' LEU . 1.9 mptt -151.05 166.89 29.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' O ' HD13 ' A' ' 43' ' ' LEU . 2.2 mttt -87.25 129.49 34.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.853 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.17 68.73 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.565 ' NE2' HD21 ' A' ' 9' ' ' LEU . 2.6 tt0 -94.47 141.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.467 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -146.01 160.57 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.1 tm0? -130.37 143.27 50.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 2.7 p -139.38 174.81 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.754 HG13 HG21 ' A' ' 91' ' ' ILE . 97.5 t -134.12 86.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.487 ' HB ' HG12 ' A' ' 64' ' ' VAL . 1.5 m -84.77 175.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 2.1 mp0 -83.05 -172.71 4.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.94 -57.59 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.36 24.77 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -38.99 7.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.743 HG11 HD12 ' A' ' 36' ' ' LEU . 53.4 t -140.3 147.77 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.76 -104.41 1.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 66' ' ' THR . 2.7 m -162.9 27.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.441 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.71 -43.47 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.555 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 3.2 ttp -75.38 -51.74 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.021 ' CD1' HD11 ' A' ' 36' ' ' LEU . 74.7 mt -53.42 -29.51 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 74' ' ' THR . 27.6 tt0 -74.92 -57.43 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.069 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 5.3 pt-20 -58.31 -13.33 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.635 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.6 mm-40 -96.44 -45.6 6.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 69' ' ' LEU . 13.5 mt -75.51 -53.59 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.43 HG21 ' HG3' ' A' ' 70' ' ' GLU . 19.6 p -70.16 -14.5 62.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.452 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.069 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -49.55 -25.64 2.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.91 84.92 5.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -4.64 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' HD1' HG23 ' A' ' 19' ' ' THR . 36.6 m-85 -151.8 -44.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.706 HG13 HG13 ' A' ' 12' ' ' VAL . 62.3 t -84.58 127.04 40.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.548 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.9 tt0 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -179.93 115.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 83' ' ' MET . 0.8 OUTLIER -86.23 151.83 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -153.36 -173.7 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -108.15 144.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -107.55 -21.02 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 176.01 167.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.12 97.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.401 ' O ' ' OG ' ' A' ' 6' ' ' SER . 43.2 m-80 -150.95 178.27 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 5.9 ttpm? -78.64 165.04 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.525 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.752 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 118.886 -0.578 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.724 HD11 ' H ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -99.71 159.34 15.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.708 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -108.16 179.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 84.5 123.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 7.2 mmtp -117.3 173.0 6.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.215 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.668 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 30.8 t -155.02 167.72 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.091 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.706 ' HB3' HD12 ' A' ' 91' ' ' ILE . 27.6 t -127.95 150.17 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.637 HD12 ' C ' ' A' ' 7' ' ' SER . 4.3 mp -137.77 119.13 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.702 HD21 ' NE2' ' A' ' 54' ' ' GLN . 12.6 tp -84.53 108.63 17.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 66' ' ' THR . 9.8 mp -84.84 150.86 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.37 97.06 4.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG13 HG13 ' A' ' 80' ' ' VAL . 70.9 t -100.9 156.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.52 128.34 24.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.75 19.56 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 2.0 m95 -44.37 -37.9 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -175.16 -171.85 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.34 -25.8 68.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.08 -40.39 89.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.872 ' CG2' HD12 ' A' ' 24' ' ' LEU . 31.2 m -50.56 101.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.74 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.758 ' HE2' HD23 ' A' ' 53' ' ' LEU . 6.6 mtp -56.47 -33.87 66.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.42 85.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -77.16 -50.07 13.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.872 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.16 -36.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.03 -62.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 20.6 mm-40 -53.26 -51.75 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -43.98 -54.3 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.588 HG13 ' CH2' ' A' ' 38' ' ' TRP . 24.7 t -52.19 -39.06 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 23.1 mtt180 -70.71 -55.94 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.4 p -46.4 -40.82 12.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 62.4 mt -50.34 129.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -135.32 167.42 21.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.77 165.46 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.02 138.72 54.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.72 14.62 23.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.768 HD11 ' HG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -101.2 130.61 47.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -129.85 126.04 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CH2' HG13 ' A' ' 28' ' ' VAL . 19.4 m95 -90.94 125.52 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.96 -142.39 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.157 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.32 126.65 52.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 55' ' ' ILE . 78.1 p -84.65 168.89 14.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -132.75 157.82 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.1 mm? -122.56 149.64 43.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 43' ' ' LEU . 65.6 t -155.17 116.42 2.37 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 140.51 25.43 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 47' ' ' GLY . 4.5 p -139.52 179.43 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.69 ' H ' HG22 ' A' ' 46' ' ' VAL . . . 38.64 -122.51 1.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 48' ' ' TYR . 20.8 p90 -145.58 104.75 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.54 -26.14 21.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.4 mp -87.14 162.05 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -139.48 166.33 24.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -92.56 141.15 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.758 HD23 ' HE2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -103.28 71.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.702 ' NE2' HD21 ' A' ' 9' ' ' LEU . 1.5 tt0 -93.84 140.0 30.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -144.48 166.57 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -129.42 144.88 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' SER . 1.4 p -135.88 162.96 31.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.45 84.58 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.9 m -84.72 175.96 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.52 -173.27 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.65 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.724 ' H ' HD11 ' A' ' 2' ' ' LEU . 2.2 t0 -132.25 17.64 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.87 -62.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG13 ' HB ' ' A' ' 59' ' ' VAL . 8.1 p -134.9 146.4 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.44 -175.96 14.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 66' ' ' THR . 6.1 m -73.51 57.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.48 -61.92 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.64 -42.5 95.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.768 ' HG ' HD11 ' A' ' 36' ' ' LEU . 14.1 mt -57.93 -44.0 86.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.576 ' HG3' HG21 ' A' ' 74' ' ' THR . 21.3 tt0 -61.81 -57.55 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.035 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 2.2 mm-40 -57.53 -13.77 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -97.37 -48.46 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.7 mt -72.8 -53.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.576 HG21 ' HG3' ' A' ' 70' ' ' GLU . 11.0 p -72.97 -2.49 21.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.035 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -64.67 -13.0 52.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.72 89.8 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -4.74 56.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.2 t70 -96.34 14.18 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 49.0 m-85 -147.71 -44.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 HG13 ' A' ' 12' ' ' VAL . 77.8 t -84.86 131.56 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.556 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 3.3 tt0 -85.89 -34.66 20.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 m 173.43 114.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 83' ' ' MET . 1.1 tmt? -87.54 151.36 23.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -154.37 -172.91 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.498 HG21 ' HD2' ' A' ' 88' ' ' PHE . 7.6 p -107.56 139.98 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -98.2 -24.65 15.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 177.51 171.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' HD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -148.95 101.77 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -142.45 164.85 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 146.52 28.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' A' ' 7' ' ' SER . 7.1 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.733 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.44 -174.89 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -141.8 172.89 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 76.06 111.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 5.9 mmtp -99.13 173.66 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.755 ' CA ' HG22 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -151.78 169.48 22.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.998 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.714 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -114.94 143.41 45.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 7' ' ' SER . 8.6 mm -142.12 115.19 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 18.0 tp -95.43 119.42 33.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.864 HD21 HG23 ' A' ' 66' ' ' THR . 10.3 mp -102.0 151.62 21.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.46 101.54 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.705 ' CG1' HG13 ' A' ' 80' ' ' VAL . 3.6 t -99.37 142.52 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.61 122.75 39.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' HB3' HG21 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.03 139.93 24.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.7 m95 -42.72 -39.59 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 107.962 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.88 -170.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -22.59 67.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' THR . 8.6 pt-20 -62.2 -34.83 77.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.817 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.75 98.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 104.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.4 mmm -65.71 -45.82 81.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.42 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -48.5 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.817 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.25 -49.18 78.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.44 -57.34 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.21 -61.14 2.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' SER . 42.2 t -43.96 -54.36 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 24' ' ' LEU . 4.3 t -41.93 -48.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -36.42 75.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' CYS . 5.8 p -56.78 -27.91 60.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.79 HD12 ' HG2' ' A' ' 72' ' ' GLN . 41.1 mm -52.66 121.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.78 144.12 44.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.77 162.02 32.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.29 143.47 50.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.18 21.32 11.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -109.5 129.21 55.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.0 t -127.81 128.16 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 32.9 m95 -93.97 112.91 24.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 108.06 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.46 -77.6 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 141.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 p -102.16 153.58 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 164.82 27.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.7 mm? -117.06 151.99 35.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.5 t -149.32 101.42 3.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.94 138.17 22.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 t -91.18 -62.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 48' ' ' TYR . . . -99.61 -60.51 0.85 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.1 -38.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.03 -56.96 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.3 mp -85.94 163.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -141.24 161.08 38.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.09 137.72 32.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.623 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -96.21 81.3 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -107.58 138.67 43.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.252 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.648 HG21 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.1 145.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.391 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.584 ' OE1' HD13 ' A' ' 9' ' ' LEU . 60.0 tp60 -109.75 143.86 38.96 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -137.8 161.43 36.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG22 HD13 ' A' ' 91' ' ' ILE . 49.4 t -117.74 80.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 m -84.54 175.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -84.16 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 -46.78 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.51 26.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -96.05 -70.04 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.96 144.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.98 161.48 12.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.864 HG23 HD21 ' A' ' 10' ' ' LEU . 1.3 m -75.07 -21.63 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.45 -56.1 3.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -40.32 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.651 HD21 HD21 ' A' ' 36' ' ' LEU . 24.4 mt -66.46 -44.29 83.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 74' ' ' THR . 24.1 tt0 -66.67 -44.08 82.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 5.4 pt-20 -74.97 -1.44 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.79 ' HG2' HD12 ' A' ' 31' ' ' ILE . 6.0 tp60 -110.69 -49.04 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.22 -64.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -56.04 -24.75 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -39.53 -31.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -85.34 74.44 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -62.75 -13.33 31.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.06 7.97 16.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -145.84 -44.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.705 HG13 ' CG1' ' A' ' 12' ' ' VAL . 54.3 t -84.35 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.58 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.5 tt0 -84.67 -35.89 22.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m 170.09 115.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -75.25 153.28 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.452 ' N ' ' SD ' ' A' ' 83' ' ' MET . 1.2 m-20 -148.32 -174.03 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.0 t -113.75 129.07 70.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -88.55 -31.46 18.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.063 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 179.84 170.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.62 95.15 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -140.73 -177.89 5.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -90.3 147.81 23.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.755 HG22 ' CA ' ' A' ' 6' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.759 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 119.017 -0.516 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.25 179.92 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.7 OUTLIER -97.98 178.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 80.8 84.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -104.22 171.42 7.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 91' ' ' ILE . 9.5 t -151.42 168.91 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.045 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.537 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -111.67 137.18 49.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 7' ' ' SER . 5.5 mm -138.86 108.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.694 HD13 ' OE1' ' A' ' 56' ' ' GLN . 12.0 tp -92.36 138.44 31.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 4.5 tp -121.22 162.14 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -143.2 106.34 4.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.664 ' CG1' HG13 ' A' ' 80' ' ' VAL . 2.2 t -101.24 136.43 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 123.35 51.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 138.5 23.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -43.1 -37.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.64 -174.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -15.75 37.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.15 -31.04 60.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.719 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.3 m -62.92 108.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.9 154.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.583 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -110.98 -36.25 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.399 1.062 . . . . 0.0 111.03 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -70.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.33 -61.22 2.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -41.4 -45.47 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.56 -61.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 13.2 mm-40 -45.64 -53.18 9.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -42.65 -56.02 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.436 1.085 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 24' ' ' LEU . 61.4 t -46.93 -42.36 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 mtt85 -65.69 -50.63 64.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -38.84 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.578 HD13 ' CG1' ' A' ' 73' ' ' ILE . 2.1 mt -40.17 141.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -153.08 148.64 27.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.91 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 153.13 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -54.98 -55.53 29.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' CA ' HG21 ' A' ' 64' ' ' VAL . . . -85.98 16.14 44.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.91 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -119.91 126.02 49.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.373 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' VAL . 28.8 t -129.93 114.41 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 24.2 m95 -77.09 144.38 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 -100.02 1.85 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 132.82 20.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 0.705 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 99.3 p -88.69 170.61 10.66 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -135.22 156.63 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' A' ' 43' ' ' LEU . 1.7 mm? -119.47 154.17 34.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 43' ' ' LEU . 80.2 t -151.89 113.02 2.92 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.424 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.2 Cg_endo -75.04 138.59 23.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 47' ' ' GLY . 1.4 p -90.41 -155.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.713 ' N ' HG13 ' A' ' 46' ' ' VAL . . . -122.43 74.16 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 175.94 -33.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.38 -12.69 2.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -84.27 164.93 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 0.73 . . . . 0.0 109.351 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -131.74 158.97 39.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.7 152.87 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -115.69 68.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 5.9 mt-30 -95.47 148.91 21.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.685 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -152.0 158.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.694 ' OE1' HD13 ' A' ' 9' ' ' LEU . 37.0 tp60 -126.53 144.31 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 26.3 p -139.02 -172.52 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.543 HG22 HD13 ' A' ' 91' ' ' ILE . 78.2 t -143.42 97.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.94 165.9 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -92.14 101.44 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.3 t0 53.75 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -151.91 24.44 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -37.93 18.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.533 HG21 ' CA ' ' A' ' 35' ' ' GLY . 69.9 t -109.94 135.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.66 176.53 20.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 66' ' ' THR . 8.8 t -76.41 47.57 0.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.28 -64.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -42.16 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -60.44 -47.06 87.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.665 ' HG3' HG21 ' A' ' 74' ' ' THR . 49.3 tt0 -56.19 -56.1 25.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.043 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.0 mm-40 -57.16 -16.02 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG2' ' CG1' ' A' ' 31' ' ' ILE . 1.7 tt0 -95.46 -46.73 6.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.816 HD12 HD13 ' A' ' 69' ' ' LEU . 56.1 mt -74.89 -59.01 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.665 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.6 p -66.76 -8.42 28.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.043 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -53.55 -20.75 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.09 85.47 3.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -71.78 -4.6 28.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.09 19.1 10.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -153.73 -44.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 ' CG1' ' A' ' 12' ' ' VAL . 98.2 t -84.87 125.75 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -84.88 -38.06 19.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.8 m 179.98 118.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.464 ' HE2' HD11 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -90.63 150.88 21.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.422 1.077 . . . . 0.0 110.95 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.9 m-20 -153.84 -173.51 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.471 HG22 ' H ' ' A' ' 87' ' ' ALA . 7.5 p -106.29 150.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -104.0 -22.77 13.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 171.57 176.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.42 98.31 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.4 ' O ' ' OG ' ' A' ' 6' ' ' SER . 33.3 t30 -151.36 173.81 14.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -77.67 171.03 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 6' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.686 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mtt . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.49 89.99 5.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.603 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 9.9 p -151.41 165.66 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 77.49 78.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.637 ' HE2' HG12 ' A' ' 58' ' ' VAL . 1.2 mmmm -87.21 174.58 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 59' ' ' VAL . 1.4 p -151.36 157.28 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.829 ' HB3' HD12 ' A' ' 91' ' ' ILE . 4.4 t -129.23 103.83 7.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.594 HG22 ' CD1' ' A' ' 10' ' ' LEU . 3.3 mp -91.09 141.41 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 5.4 tp -114.44 106.18 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.774 HD21 HG23 ' A' ' 66' ' ' THR . 8.6 mp -87.38 153.84 21.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.96 100.07 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.752 ' CG1' HG13 ' A' ' 80' ' ' VAL . 20.2 t -105.95 145.62 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.55 136.46 20.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HG3' ' HE2' ' A' ' 21' ' ' MET . 18.3 Cg_endo -74.94 155.87 43.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -65.08 -31.81 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.71 176.72 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -21.24 10.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.79 -41.13 83.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.753 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -47.68 106.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -51.41 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.533 ' HE2' ' HG3' ' A' ' 14' ' ' PRO . 1.1 mtt -59.41 -41.52 89.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -59.66 -43.94 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -67.99 -41.6 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.753 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -61.87 -45.33 94.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' OE1' HD21 ' A' ' 43' ' ' LEU . 33.2 tt0 -75.08 -32.8 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 2.2 tt0 -69.07 -58.96 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.2 t -45.18 -54.59 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 24' ' ' LEU . 54.8 t -44.75 -73.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 3.5 ptp180 -49.07 -28.88 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.923 HG21 ' CD2' ' A' ' 69' ' ' LEU . 33.0 mt -64.29 131.34 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.42 141.8 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.197 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.967 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -156.67 141.84 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.26 -54.96 20.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.25 28.3 6.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.076 HD11 HD11 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -124.6 133.42 53.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -138.13 108.39 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 109.388 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.59 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 36.3 m95 -74.0 129.64 38.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.11 -61.18 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 82.6 p -87.67 163.75 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.984 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -133.4 162.33 32.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD21 ' OE1' ' A' ' 25' ' ' GLU . 2.1 mm? -121.99 148.45 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.5 t -144.82 101.76 4.56 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.5 31.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 t -96.41 -71.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.18 -79.95 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 85.7 t80 -171.6 82.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.75 -43.48 0.53 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.458 HG23 ' HG2' ' A' ' 14' ' ' PRO . 5.0 mp -114.37 153.82 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.777 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -137.55 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -85.43 125.52 33.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -88.08 70.58 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.52 ' O ' HG22 ' A' ' 55' ' ' ILE . 3.5 mt-30 -96.24 148.82 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.654 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -153.9 148.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -122.85 146.42 47.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.59 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -132.73 -165.67 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.637 HG12 ' HE2' ' A' ' 5' ' ' LYS . 50.1 t -150.03 68.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 8' ' ' ILE . 3.8 m -84.51 174.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 1.3 mm-40 -84.75 171.89 11.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.73 5.05 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.96 25.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.05 -77.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.5 p -123.02 165.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.59 -178.54 17.23 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.774 HG23 HD21 ' A' ' 10' ' ' LEU . 24.1 m -75.53 56.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 0.821 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -61.41 -40.75 95.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.076 HD11 HD11 ' A' ' 36' ' ' LEU . 19.5 mt -57.74 -52.31 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG3' HG21 ' A' ' 74' ' ' THR . 25.5 tt0 -53.54 -56.4 17.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.047 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 3.4 mm-40 -59.0 -13.94 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -95.75 -46.49 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.81 -57.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.456 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.2 p -67.57 -8.93 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.047 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -56.53 -20.49 20.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -100.57 91.55 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -78.26 -4.84 49.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -96.67 15.53 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -148.69 -44.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.752 HG13 ' CG1' ' A' ' 12' ' ' VAL . 37.9 t -84.36 126.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 9.9 tt0 -84.63 -38.63 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p 179.35 106.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.413 ' HB2' HG22 ' A' ' 74' ' ' THR . 0.7 OUTLIER -75.52 152.43 37.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -150.24 -173.35 4.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.25 134.98 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -96.57 -24.33 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 8' ' ' ILE . . . 175.58 162.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -154.49 92.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -154.76 -177.85 6.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.67 149.99 26.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.829 HD12 ' HB3' ' A' ' 7' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.764 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mtt . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 118.98 -0.533 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' C ' HG23 ' A' ' 3' ' ' VAL . 1.1 tp -163.3 111.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 4' ' ' ALA . 88.2 t -153.06 168.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.551 ' N ' HG12 ' A' ' 3' ' ' VAL . . . 56.13 82.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -97.32 174.34 6.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.699 ' HA ' HG22 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -153.77 169.53 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.736 ' HB2' HD13 ' A' ' 91' ' ' ILE . 35.6 t -142.39 148.53 38.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.409 HG12 ' CE2' ' A' ' 88' ' ' PHE . 1.8 mp -141.42 126.13 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 12.2 tp -95.12 137.66 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.7 HD21 ' CE ' ' A' ' 83' ' ' MET . 1.0 OUTLIER -124.33 160.21 28.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -147.27 97.59 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.861 ' CG1' HG13 ' A' ' 80' ' ' VAL . 58.6 t -102.0 150.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.78 139.5 21.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.695 ' HB3' HG21 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 160.91 39.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 3.1 m95 -74.33 -37.42 63.56 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.2 178.5 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.98 -34.11 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -56.9 -31.23 64.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.792 ' CG2' HD12 ' A' ' 24' ' ' LEU . 69.7 m -42.81 98.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 1.7 t0 -47.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.714 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.27 -33.36 73.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.083 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -68.97 -38.29 79.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -73.82 -52.44 13.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.792 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -53.96 -41.54 67.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.49 -43.76 54.54 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.152 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 22' ' ' ALA . 4.6 mm-40 -62.41 -59.16 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.82 -58.68 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 108.361 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 24' ' ' LEU . 55.4 t -40.7 -50.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -48.33 69.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.05 -48.32 22.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 85.1 mt -40.82 130.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -137.52 146.03 43.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . . . -158.26 169.28 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.77 146.44 51.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.191 . . . . 0.0 109.24 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.79 21.41 4.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.732 ' CD2' HD21 ' A' ' 69' ' ' LEU . 42.3 tp -109.38 135.13 50.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' CG1' ' HB ' ' A' ' 58' ' ' VAL . 3.8 t -129.77 140.02 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 11.3 m95 -108.48 98.04 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.85 -115.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.4 134.61 36.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.6 p -87.73 169.94 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.66 150.82 44.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.4 mm? -119.84 152.73 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 43' ' ' LEU . 87.1 t -153.41 96.66 2.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.15 21.24 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.3 t -97.99 -55.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 173.54 -161.94 32.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 49.79 -90.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.474 0.749 . . . . 0.0 110.969 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' O ' HD13 ' A' ' 50' ' ' ILE . . . -166.69 27.78 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 17' ' ' ASP . 15.0 mm -113.37 165.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -147.6 163.38 36.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.765 ' O ' HD13 ' A' ' 43' ' ' LEU . 7.2 tttt -84.47 129.04 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.714 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -93.94 61.94 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.548 ' CD ' HD21 ' A' ' 9' ' ' LEU . 1.9 tt0 -93.0 139.3 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.591 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.28 162.78 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' OE1' ' C ' ' A' ' 8' ' ' ILE . 4.1 tp-100 -130.0 143.62 50.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -137.87 160.79 38.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.354 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' HB ' ' CG1' ' A' ' 37' ' ' VAL . 65.1 t -122.84 98.29 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.0 m -84.98 170.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -88.62 82.39 6.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' CA ' ' HB2' ' A' ' 6' ' ' SER . 0.8 OUTLIER 58.96 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' GLU . 7.5 t70 -142.75 25.82 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -57.9 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.577 HG11 HD13 ' A' ' 36' ' ' LEU . 40.5 t -92.69 104.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.24 160.42 30.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -71.15 -8.66 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.452 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -63.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 ttp -59.89 -55.66 31.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 1.185 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.732 HD21 ' CD2' ' A' ' 36' ' ' LEU . 59.3 mt -50.41 -41.34 52.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HG3' HG21 ' A' ' 74' ' ' THR . 29.5 tt0 -64.07 -52.59 58.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.031 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.9 OUTLIER -60.31 -13.92 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -99.38 -44.21 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.529 HG23 HG22 ' A' ' 28' ' ' VAL . 8.8 mt -74.25 -54.17 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.565 HG21 ' HG3' ' A' ' 70' ' ' GLU . 8.6 p -74.77 -2.2 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.031 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -61.2 -16.41 44.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.16 90.18 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.46 -8.66 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.43 13.79 16.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -149.09 -43.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.861 HG13 ' CG1' ' A' ' 12' ' ' VAL . 39.3 t -84.06 125.12 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.377 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 31.8 tt0 -84.41 -38.79 19.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -179.49 112.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.7 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -85.18 151.65 23.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.599 1.187 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -144.27 -174.63 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.97 138.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -98.78 -27.22 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 167.6 169.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.397 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -153.46 102.5 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -154.03 172.19 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' H ' ' CE ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -73.89 143.77 45.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.736 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.775 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.496 HD13 ' OE1' ' A' ' 60' ' ' GLU . 9.2 mt -103.75 171.14 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.643 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 3.0 p -152.94 176.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 79.9 90.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -108.91 170.61 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.77 ' CA ' HG22 ' A' ' 91' ' ' ILE . 15.7 t -142.42 168.36 19.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.544 1.153 . . . . 0.0 110.088 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.775 ' C ' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -114.9 149.35 37.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.943 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 7' ' ' SER . 3.4 mp -153.16 119.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 10' ' ' LEU . 7.1 tp -102.06 145.12 29.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 9' ' ' LEU . 6.4 mp -129.67 155.12 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.42 88.57 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' HG3' ' A' ' 83' ' ' MET . 23.3 t -89.28 146.37 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -113.94 130.49 23.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 163.0 36.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -69.83 -35.09 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.026 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.51 -178.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.83 -21.83 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.56 -32.45 73.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.769 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.6 m -69.82 108.78 4.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' CB ' ' HG3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -61.63 128.27 35.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.481 ' HE1' HD23 ' A' ' 53' ' ' LEU . 11.0 mmm -84.76 -7.66 59.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.31 -36.02 22.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HG3' ' CB ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -82.75 -48.73 10.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -56.83 -38.62 72.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -75.2 -52.19 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.68 -57.53 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -45.63 -53.83 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.608 1.193 . . . . 0.0 108.383 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.573 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -46.87 -40.41 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -52.97 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -38.93 -45.43 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.057 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.687 HG21 HD23 ' A' ' 69' ' ' LEU . 7.4 mt -44.22 129.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -150.76 137.33 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 166.94 29.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.72 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.23 8.49 44.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 69' ' ' LEU . 30.7 tp -111.58 137.43 49.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.9 t -142.89 141.66 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 64.6 m95 -97.73 -176.27 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.56 -136.34 2.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.566 1.166 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.7 m -108.32 128.71 54.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 94.6 p -87.92 163.17 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -130.1 156.52 44.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.385 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.4 mm? -123.14 153.06 40.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 43' ' ' LEU . 92.2 t -152.61 100.12 2.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.15 18.73 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 46' ' ' VAL . 8.9 p -148.48 44.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 152.14 106.5 0.31 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -38.29 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.28 -46.31 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLY . 2.7 mp -94.47 158.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.02 163.32 40.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.601 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -84.96 137.13 33.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.683 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -101.4 64.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.518 ' NE2' HD21 ' A' ' 9' ' ' LEU . 6.9 tt0 -90.11 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' CG2' ' C ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -149.9 164.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.608 ' HB2' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -130.01 142.08 50.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 5.9 p -127.85 178.18 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 1.007 HG22 HD13 ' A' ' 91' ' ' ILE . 60.4 t -141.15 108.47 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.725 HG13 HD13 ' A' ' 8' ' ' ILE . 1.6 m -92.4 166.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 62' ' ' ASP . 2.0 tt0 -97.41 109.38 22.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 3.7 t70 47.44 -92.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -146.47 24.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -38.03 20.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 36' ' ' LEU . 23.2 t -109.6 132.27 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.44 166.31 22.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.483 ' CG2' HD21 ' A' ' 10' ' ' LEU . 85.9 m -75.72 52.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.42 -54.37 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 1.6 ttp -72.58 -43.08 63.86 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 36' ' ' LEU . 4.3 mt -55.51 -41.74 73.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG3' HG21 ' A' ' 74' ' ' THR . 19.7 tt0 -61.96 -56.55 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.038 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 16.4 mt-10 -58.1 -13.99 5.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 68' ' ' MET . 4.4 mm-40 -97.46 -47.6 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.3 mt -72.9 -52.41 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.456 HG21 ' HG3' ' A' ' 70' ' ' GLU . 13.4 p -74.37 -1.01 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.038 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -67.04 -19.36 65.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.6 90.77 4.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 111.0 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.1 mt-10 -77.14 -4.38 44.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -97.41 14.45 26.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 61.3 m-85 -150.31 -44.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.0 t -84.62 123.11 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 8.3 tt0 -84.15 -40.55 18.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p 177.74 107.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.48 ' HG3' HG22 ' A' ' 12' ' ' VAL . 5.9 ttt -80.54 153.37 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 83' ' ' MET . 7.7 m-20 -147.06 -175.24 4.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 143.55 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -103.67 -27.29 12.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.162 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 167.08 175.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.7 98.07 2.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.587 1.179 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' SER . 53.4 m-20 -143.74 -175.63 4.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -74.49 164.23 26.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.007 HD13 HG22 ' A' ' 58' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.777 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 118.88 -0.581 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -99.27 -154.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.558 HG22 HD23 ' A' ' 2' ' ' LEU . 2.6 m -91.29 76.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 39.06 41.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HG3' HG23 ' A' ' 3' ' ' VAL . 1.4 mmmm -122.07 171.77 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.614 ' HA ' HG22 ' A' ' 91' ' ' ILE . 16.1 t -155.95 167.67 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.775 ' HB2' HD13 ' A' ' 91' ' ' ILE . 2.4 t -128.36 142.53 51.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.452 HG22 ' HG ' ' A' ' 10' ' ' LEU . 5.3 mp -130.0 120.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 14.4 tp -100.82 98.47 8.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 83' ' ' MET . 1.6 mp -95.21 137.73 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -118.98 96.28 5.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.817 ' CG1' HG13 ' A' ' 80' ' ' VAL . 20.9 t -84.85 146.55 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -108.6 129.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HG3' ' CE ' ' A' ' 21' ' ' MET . 18.4 Cg_endo -75.06 146.77 32.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -55.96 -38.88 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.34 174.88 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.4 -29.61 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 15.4 pt-20 -57.15 -49.46 75.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.777 ' CG2' HD12 ' A' ' 24' ' ' LEU . 12.9 m -38.4 114.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 100.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HG3' ' A' ' 14' ' ' PRO . 56.4 mmm -69.04 -17.48 63.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.16 -37.32 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -77.71 -46.28 22.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.9 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -54.03 -39.05 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 2.8 tt0 -75.61 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 27' ' ' CYS . 3.3 pt-20 -50.92 -42.49 59.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 51.6 t -58.54 -53.49 57.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 108.282 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 24' ' ' LEU . 40.4 t -45.31 -60.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -50.74 -43.91 58.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.57 -49.21 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.959 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 97.9 mt -44.54 133.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 164.09 26.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.883 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -169.51 62.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 36' ' ' LEU . 1.7 t70 40.87 -90.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . -76.54 38.2 1.44 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.883 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -113.57 109.14 18.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -103.05 136.29 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m95 -106.73 79.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -37.74 -60.96 1.16 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.563 1.165 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER 161.88 129.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.468 ' OG ' ' CG ' ' A' ' 25' ' ' GLU . 57.5 p -85.76 155.63 20.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 109.948 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 166.25 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 52' ' ' LYS . 1.4 mm? -117.83 151.59 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.66 99.51 6.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.69 19.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.51 1.795 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -105.26 -35.74 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -136.02 -122.17 2.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.533 ' O ' ' CD2' ' A' ' 48' ' ' TYR . 25.2 p90 -139.11 97.42 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.26 -50.3 0.88 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.592 1.183 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.9 mp -96.04 163.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -152.54 163.96 38.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.533 ' O ' HD13 ' A' ' 43' ' ' LEU . 2.2 mttt -85.68 138.68 31.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.634 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.46 72.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 55' ' ' ILE . 3.2 tt0 -100.0 144.77 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.579 HG13 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.29 149.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -115.89 144.09 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -148.55 152.54 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 91' ' ' ILE . 13.7 t -117.93 85.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.0 m -84.54 173.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.12 178.63 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.63 2.69 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -155.06 24.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -126.38 -78.6 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.557 1.16 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 65' ' ' GLY . 40.8 t -107.17 165.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 64' ' ' VAL . . . -131.34 -98.11 0.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.452 HG23 ' HE1' ' A' ' 83' ' ' MET . 0.9 OUTLIER -164.63 -40.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' THR . 5.4 p-10 -36.93 -46.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 9.2 ttp -63.6 -57.71 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.95 -42.6 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 74' ' ' THR . 3.2 tt0 -58.07 -54.43 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.957 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -67.25 -8.73 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 68' ' ' MET . 1.1 mm100 -96.11 -53.69 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -73.78 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -60.21 -20.97 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.957 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -40.54 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -89.57 86.96 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -73.51 -4.56 34.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.55 16.6 19.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.68 -43.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.817 HG13 ' CG1' ' A' ' 12' ' ' VAL . 86.5 t -84.1 123.0 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.581 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 6.1 tt0 -84.33 -29.11 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.4 m 163.45 117.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.486 ' HE3' HD23 ' A' ' 10' ' ' LEU . 5.9 ttt -78.59 157.86 28.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 83' ' ' MET . 4.6 m-20 -149.42 -174.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -126.83 124.98 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -84.85 -21.57 29.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.606 1.192 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 173.64 145.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.13 88.25 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -143.73 -174.7 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -74.4 164.11 26.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.776 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 118.99 -0.529 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.63 162.5 25.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 4' ' ' ALA . 23.8 t -146.71 170.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.543 ' N ' HG12 ' A' ' 3' ' ' VAL . . . 64.76 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HD2' HG12 ' A' ' 58' ' ' VAL . 17.3 mmtt -113.07 173.55 6.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 31.9 t -145.87 161.95 38.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.625 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -107.43 143.68 35.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.74 HG22 ' CD1' ' A' ' 10' ' ' LEU . 5.0 mp -143.66 98.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 23.1 tp -86.34 125.87 33.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.74 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.9 mp -108.57 151.85 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.44 83.4 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.598 1.186 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.605 ' CG1' HG13 ' A' ' 80' ' ' VAL . 6.1 t -87.19 143.84 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -111.33 132.76 21.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.93 161.26 39.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -68.6 -31.76 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 108.052 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.41 -172.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.16 -21.91 60.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.63 -38.37 80.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' MET . 24.2 m -46.6 108.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.27 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.219 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.474 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -58.47 -42.49 87.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -54.61 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.589 HD22 HD12 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -55.88 -41.76 74.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.96 -46.43 68.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.8 mm-40 -65.74 -63.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -42.16 -57.14 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.567 HG11 HG21 ' A' ' 55' ' ' ILE . 2.2 t -39.53 -45.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLU . 8.0 mtp180 -74.68 -44.56 49.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 p -49.91 -38.46 36.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' VAL . 92.2 mt -45.08 125.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -130.27 121.22 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.695 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -128.58 169.0 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.83 142.64 54.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 44.37 25.68 0.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.964 HD11 HD21 ' A' ' 69' ' ' LEU . 3.2 tt -106.31 127.99 53.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -117.51 143.4 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m95 -109.35 108.29 18.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 108.047 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.97 -134.28 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -112.57 134.3 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 0.785 . . . . 0.0 109.992 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 99.3 p -87.45 168.95 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.89 156.15 49.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.3 mm? -121.23 149.45 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 43' ' ' LEU . 50.7 t -154.78 101.51 2.34 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 163.44 35.2 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.594 1.839 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.81 -92.13 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.172 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.71 90.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.31 -64.25 0.41 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 1.6 mp -94.81 162.57 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 0.81 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -153.57 159.28 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 148.79 26.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.589 HD12 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -109.45 74.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' CD ' HD21 ' A' ' 9' ' ' LEU . 8.3 tt0 -96.36 136.96 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.567 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -147.19 156.05 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.495 ' HB2' HD13 ' A' ' 9' ' ' LEU . 2.4 tp-100 -121.0 141.3 50.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 1.078 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -130.6 162.63 28.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.593 HG13 HD11 ' A' ' 91' ' ' ILE . 17.4 t -124.47 107.16 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.654 HG22 ' CD1' ' A' ' 8' ' ' ILE . 8.5 m -98.08 172.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.3 mm-40 -91.79 78.42 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' OD2' ' N ' ' A' ' 62' ' ' ASP . 2.8 t70 59.31 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLU . 19.4 t0 -137.37 26.34 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -50.49 7.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 36' ' ' LEU . 97.2 t -106.95 123.12 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.24 164.8 15.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.672 ' CG2' HD21 ' A' ' 10' ' ' LEU . 20.0 m -75.05 -21.24 59.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 0.697 . . . . 0.0 110.45 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.98 -59.32 1.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.413 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 1.7 ttp -58.26 -51.34 70.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.964 HD21 HD11 ' A' ' 36' ' ' LEU . 36.7 mt -52.15 -51.68 56.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 74' ' ' THR . 5.6 tt0 -54.5 -54.84 35.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.945 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 20.7 mm-40 -59.57 -14.2 12.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' OE1' ' CE ' ' A' ' 68' ' ' MET . 1.8 tt0 -95.89 -49.66 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 31' ' ' ILE . 8.8 mt -75.43 -65.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.461 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -54.11 -20.89 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.388 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.945 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -44.19 -31.28 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -88.83 89.33 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -75.71 -8.28 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -92.0 9.3 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 32.5 m-85 -142.05 -42.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.605 HG13 ' CG1' ' A' ' 12' ' ' VAL . 59.2 t -83.97 124.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 4.7 tt0 -85.01 -35.38 21.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 p 171.16 103.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.935 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.471 ' CG ' ' N ' ' A' ' 84' ' ' ASP . 8.8 ttt -75.2 158.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 111.059 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 83' ' ' MET . 1.9 m-20 -150.17 -175.82 5.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -108.64 134.08 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -95.43 -32.51 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 173.95 176.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.21 90.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -146.01 172.69 13.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -88.81 159.43 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 7' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.829 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 118.94 -0.552 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.4 OUTLIER 63.33 99.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 96.2 t -154.25 156.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 72.58 80.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HG2' ' A' ' 60' ' ' GLU . 13.9 mmtp -88.93 175.6 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.77 148.53 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.621 ' O ' HD13 ' A' ' 8' ' ' ILE . 3.3 t -88.06 148.15 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 7' ' ' SER . 11.6 mm -141.99 103.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 11.2 tp -107.55 101.78 11.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.923 HD21 HG21 ' A' ' 66' ' ' THR . 1.1 mt -99.72 138.4 36.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.45 101.19 7.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.857 HG13 HG13 ' A' ' 80' ' ' VAL . 84.8 t -89.5 154.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -113.64 128.37 25.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.03 136.32 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.566 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -45.6 -38.72 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.016 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 178.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.15 -23.74 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.58 -39.83 88.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.491 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -59.97 104.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.34 146.88 3.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.542 ' HE1' HD23 ' A' ' 53' ' ' LEU . 33.1 mmm -107.9 -10.39 15.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.79 -57.02 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 6.6 mttt -61.67 -44.75 96.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -57.08 -42.28 80.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -75.24 -56.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -55.85 -35.47 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 40.4 t -66.62 -52.5 44.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 55' ' ' ILE . 2.5 t -48.64 -39.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' O ' ' CD1' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -75.03 -48.05 25.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.6 p -46.03 -42.98 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.509 HG21 ' CD2' ' A' ' 69' ' ' LEU . 67.5 mt -39.97 123.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -111.59 137.35 49.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.68 161.54 42.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -70.15 153.32 43.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.91 30.64 0.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 ' CD1' HD11 ' A' ' 69' ' ' LEU . 1.3 tp -106.36 131.76 53.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -126.74 109.41 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 7.9 m95 -80.62 105.87 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.25 -97.45 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -155.59 131.0 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -89.71 157.34 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -139.43 170.01 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.2 mm? -126.86 160.91 29.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' C ' ' A' ' 43' ' ' LEU . 81.1 t -154.32 115.82 2.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 140.28 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -90.87 -26.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' TYR . . . 167.75 74.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' GLY . 40.0 m-85 37.98 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.99 -83.25 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.2 mt -92.21 161.79 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -136.68 168.36 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' O ' HD13 ' A' ' 43' ' ' LEU . 4.1 mttt -94.28 130.52 40.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.542 HD23 ' HE1' ' A' ' 21' ' ' MET . 0.2 OUTLIER -88.83 77.45 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 3.2 tt0 -104.75 145.08 30.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.737 HG21 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -149.15 155.43 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.409 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -124.82 144.12 50.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.53 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -146.2 161.62 39.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.616 HG13 HD11 ' A' ' 91' ' ' ILE . 10.0 t -119.92 76.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 64' ' ' VAL . 1.8 m -84.63 175.02 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG2' ' CE ' ' A' ' 5' ' ' LYS . 1.7 mm-40 -85.41 157.75 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 -0.04 57.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.231 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -141.62 24.78 2.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.88 -77.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 59' ' ' VAL . 1.9 t -85.6 150.2 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.44 11.57 3.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.067 . . . . 0.0 110.97 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.923 HG21 HD21 ' A' ' 10' ' ' LEU . 8.5 m 66.76 39.34 3.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 0.792 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -103.95 -57.21 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -41.66 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD11 ' CD1' ' A' ' 36' ' ' LEU . 72.4 mt -59.3 -37.82 78.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.592 ' HG3' HG21 ' A' ' 74' ' ' THR . 20.7 tt0 -65.91 -55.54 16.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.378 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.054 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 21.4 mt-10 -58.39 -14.97 8.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -46.05 6.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.431 ' CG1' ' CD1' ' A' ' 31' ' ' ILE . 16.6 mt -73.35 -55.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.592 HG21 ' HG3' ' A' ' 70' ' ' GLU . 11.8 p -71.46 -7.35 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.054 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -56.62 -21.02 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.393 1.058 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD2' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -96.3 85.16 3.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -79.37 -4.54 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.452 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -93.44 8.58 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 43.7 m-85 -144.19 -44.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.857 HG13 HG13 ' A' ' 12' ' ' VAL . 56.0 t -85.69 130.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.566 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -84.89 -35.7 22.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m 173.68 118.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.594 ' CE ' HD22 ' A' ' 10' ' ' LEU . 4.1 ttt -86.19 151.84 23.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 42.5 m-20 -147.26 -175.76 4.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.65 127.54 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -85.89 -18.24 33.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 168.24 161.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -143.29 90.18 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -153.58 -179.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 6.0 ttpp -90.91 163.64 14.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.616 HD11 HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.463 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.695 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 mtt . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 118.987 -0.53 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.06 44.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 m -85.88 81.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.64 96.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -104.73 172.79 6.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.783 ' CA ' HG22 ' A' ' 91' ' ' ILE . 30.2 t -146.42 166.49 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.723 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -114.52 124.4 51.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mm -124.43 108.85 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 55' ' ' ILE . 34.4 tp -93.32 126.46 38.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 10.5 mp -106.44 149.96 26.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.92 93.33 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 80' ' ' VAL . 55.0 t -94.49 156.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -120.64 130.94 24.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.95 143.2 28.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -54.74 -32.81 60.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.3 175.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -30.3 3.08 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.34 -40.75 82.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.978 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.9 m -56.38 96.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.091 . . . . 0.0 110.445 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.04 112.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 53' ' ' LEU . 53.3 mmm -70.81 -29.04 65.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.61 -35.75 79.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.6 -44.66 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.978 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -62.54 -38.36 89.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.22 -35.21 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -75.58 -56.27 4.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 t -43.73 -53.05 6.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.55 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 11.6 t -51.32 -40.0 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -73.0 -41.68 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -50.14 -29.97 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.711 HG21 HD23 ' A' ' 69' ' ' LEU . 73.1 mt -58.43 127.96 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.84 123.07 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.18 156.99 47.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.75 125.98 25.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.04 32.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.057 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 69' ' ' LEU . 7.9 tp -91.25 134.38 34.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 38' ' ' TRP . 40.7 t -140.44 142.08 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 69.0 m95 -90.27 -174.72 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.38 -77.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.94 129.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 92.9 p -87.91 165.96 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -128.6 158.31 38.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 43' ' ' LEU . 2.8 mm? -122.25 151.32 41.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 43' ' ' LEU . 72.7 t -151.75 100.33 2.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HB3' ' CE ' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -74.99 141.8 27.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -88.81 -62.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.31 -93.39 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.566 1.167 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -155.77 87.66 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 149.79 -49.09 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.6 mp -103.29 161.74 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 45' ' ' PRO . 7.4 mttt -150.74 165.87 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 43' ' ' LEU . 6.5 tttt -84.77 155.21 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.59 ' HG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -116.05 61.74 0.71 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' CD ' HD21 ' A' ' 9' ' ' LEU . 4.4 tt0 -88.23 137.78 32.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -144.7 145.57 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.604 ' HB2' HD13 ' A' ' 9' ' ' LEU . 30.4 tp60 -114.93 142.83 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 7.6 p -136.76 177.46 7.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.714 HG13 HG21 ' A' ' 91' ' ' ILE . 22.8 t -134.73 84.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.3 175.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 63' ' ' LYS . 3.0 mm-40 -83.95 170.16 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -66.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -134.37 24.34 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.16 -46.79 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 36' ' ' LEU . 55.1 t -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.92 174.18 20.94 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 66' ' ' THR . 26.1 m -75.82 51.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 0.722 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 2.3 tmm? -71.39 -47.1 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.808 HD21 HD21 ' A' ' 36' ' ' LEU . 1.6 mt -54.28 -42.7 70.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CE ' ' A' ' 83' ' ' MET . 4.4 tt0 -59.15 -55.11 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.046 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 8.8 mt-10 -63.77 -9.78 16.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.563 1.164 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 68' ' ' MET . 5.5 mm-40 -97.92 -47.73 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.433 HG23 HG22 ' A' ' 28' ' ' VAL . 6.5 mt -71.14 -53.08 22.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 83' ' ' MET . 18.3 p -74.29 -2.55 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.046 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -65.16 -11.7 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.91 92.68 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 1.7 mt-10 -83.28 -5.77 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -99.66 19.9 15.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 25.2 m-85 -154.68 -43.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 12' ' ' VAL . 77.1 t -85.64 128.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 7.3 tt0 -84.72 -36.14 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.5 p 174.56 111.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 4.6 ttt -81.25 149.99 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.455 ' N ' ' HG2' ' A' ' 83' ' ' MET . 2.0 m-20 -152.3 -174.35 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.507 HG21 ' CD2' ' A' ' 88' ' ' PHE . 9.5 p -107.1 136.52 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.25 -26.48 18.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.18 164.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -142.11 98.47 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -154.3 172.18 18.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -78.3 172.74 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.783 HG22 ' CA ' ' A' ' 6' ' ' SER . 1.1 tt . . . . . 0 N--CA 1.449 -0.486 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.739 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtt . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 119.027 -0.511 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.3 50.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.733 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 1.3 p -127.01 -174.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 89.2 78.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.518 ' HE2' HG12 ' A' ' 58' ' ' VAL . 7.1 mtmm -119.58 171.06 8.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.651 ' HA ' HG22 ' A' ' 91' ' ' ILE . 13.2 t -135.6 170.93 15.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.702 ' HB2' HD13 ' A' ' 91' ' ' ILE . 10.3 t -130.69 128.51 41.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.055 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.628 HD13 ' O ' ' A' ' 7' ' ' SER . 25.1 mm -118.86 115.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 19.6 tp -92.02 106.05 18.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.615 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.5 mp -92.1 146.56 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -124.48 93.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 80' ' ' VAL . 59.5 t -91.57 149.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 tptt -113.64 132.92 22.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.02 146.64 32.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.589 1.836 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -56.94 -27.58 61.21 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.49 -171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -23.47 63.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.366 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.31 -39.43 89.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.793 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.1 m -62.44 97.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.75 154.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.27 -38.36 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -62.0 2.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.71 -57.43 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.793 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.9 OUTLIER -48.06 -53.0 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -61.16 -57.77 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ARG . 4.7 mm-40 -50.86 -56.78 10.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -38.07 -68.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 108.338 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.935 HG22 HD12 ' A' ' 73' ' ' ILE . 40.2 t -39.35 -45.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.2 ttp180 -65.95 -51.45 58.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -38.65 -50.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 73' ' ' ILE . 3.0 mt -39.49 122.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -130.02 146.61 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.898 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -161.33 143.93 12.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.53 -54.92 22.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.29 28.35 6.29 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.953 HD21 HD21 ' A' ' 69' ' ' LEU . 9.5 tp -132.2 130.68 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.9 t -128.85 139.98 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.596 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 11.9 m95 -105.03 112.74 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.46 -78.79 0.63 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.8 p -176.67 131.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.943 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 79.5 p -86.47 159.94 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' HD22 ' A' ' 43' ' ' LEU . 2.3 mtpp -131.3 158.68 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.8 mm? -121.49 148.4 44.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.472 HG23 ' C ' ' A' ' 43' ' ' LEU . 95.2 t -155.46 111.26 2.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 51' ' ' LYS . 18.3 Cg_endo -74.94 134.1 17.5 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.8 -47.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.03 155.36 47.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -39.19 -50.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 0.741 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.88 24.79 3.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 14' ' ' PRO . 4.3 mp -115.72 162.67 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 3.8 mttt -130.03 165.9 21.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.607 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.2 ttpt -84.6 146.59 27.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -105.37 60.56 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -86.37 138.26 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.659 HG13 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -146.77 146.75 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 4.1 tp-100 -116.69 141.98 47.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 1.9 p -134.77 169.57 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.518 HG12 ' HE2' ' A' ' 5' ' ' LYS . 82.3 t -133.26 80.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 36' ' ' LEU . 10.1 m -84.11 176.78 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' HG3' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -81.72 -178.98 7.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 -50.7 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -139.34 25.41 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -33.75 6.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -149.04 131.48 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' OD1' ' A' ' 67' ' ' ASP . . . -123.14 179.85 16.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.596 ' CG2' HD21 ' A' ' 10' ' ' LEU . 88.0 m -76.33 53.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -112.82 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -49.68 -39.83 37.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.953 HD21 HD21 ' A' ' 36' ' ' LEU . 11.0 mt -61.24 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.508 ' CG ' HG21 ' A' ' 74' ' ' THR . 21.4 tt0 -46.06 -57.49 4.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.054 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -49.41 -20.82 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 1.1 tt0 -98.83 -48.14 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.236 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.935 HD12 HG22 ' A' ' 28' ' ' VAL . 8.0 mm -64.98 -57.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.537 HG22 ' CB ' ' A' ' 83' ' ' MET . 51.6 p -69.42 -17.69 63.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.054 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -47.69 -27.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -93.32 97.19 10.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -86.92 -5.48 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.01 22.08 10.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 20.7 m-85 -154.99 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.809 HG13 HG13 ' A' ' 12' ' ' VAL . 55.6 t -84.74 127.45 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 13.1 tt0 -84.69 -32.71 23.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.3 p 172.18 112.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.537 ' CB ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER -84.92 151.12 24.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.67 -172.73 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.3 t -112.31 133.4 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -92.43 -28.95 16.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -175.71 149.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.66 97.7 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -153.14 168.97 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 91' ' ' ILE . 7.6 ttpp -77.16 163.91 26.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 7' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.763 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 118.98 -0.534 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -88.79 -166.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -106.2 107.85 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 3' ' ' VAL . . . 38.54 53.02 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.815 ' HD2' HG12 ' A' ' 58' ' ' VAL . 20.7 mmtt -133.31 171.48 13.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.641 ' CA ' HG22 ' A' ' 91' ' ' ILE . 33.3 t -154.82 166.31 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.853 ' HB2' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -115.1 130.38 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -137.88 119.58 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 55' ' ' ILE . 16.9 tp -104.92 128.26 53.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.695 HD22 ' SD ' ' A' ' 83' ' ' MET . 4.4 mt -121.28 146.66 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.54 105.65 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 80' ' ' VAL . 18.7 t -92.84 147.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -111.64 127.68 26.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.97 134.38 17.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 12.8 m95 -48.57 -30.29 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 18' ' ' GLU . 4.2 m-20 177.3 166.81 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -27.23 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 16' ' ' ASP . 20.4 pt-20 -57.94 -37.29 73.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.727 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.7 m -57.58 102.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.33 102.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.921 ' HE1' HD23 ' A' ' 53' ' ' LEU . 76.0 mmm -61.55 -34.74 76.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.32 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -45.7 49.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.21 -40.05 88.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.26 -45.82 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -65.05 -52.9 53.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 48.3 t -40.89 -63.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.612 HG11 HG21 ' A' ' 55' ' ' ILE . 2.2 t -39.79 -47.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -47.05 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -44.1 -28.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 29.6 mm -56.73 121.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -112.52 133.61 54.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.865 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -158.29 120.04 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -44.31 -49.09 9.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' HG21 ' A' ' 64' ' ' VAL . . . -87.93 33.48 3.99 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.865 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 12.4 tp -132.91 124.88 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.446 0.733 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.3 t -117.12 104.24 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 57' ' ' CYS . 11.6 m95 -79.18 108.1 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.62 -108.65 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.432 1.082 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.47 131.48 36.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 0.711 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.2 p -90.57 155.03 19.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.051 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.67 154.72 36.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.8 mm? -120.87 153.76 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 43' ' ' LEU . 86.2 t -152.71 120.87 3.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HA ' ' HG3' ' A' ' 51' ' ' LYS . 18.4 Cg_endo -75.05 139.6 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' HG12 ' A' ' 46' ' ' VAL . 84.2 t -148.61 58.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.063 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.43 112.72 2.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -37.22 106.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.37 -41.51 2.02 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 4.3 mt -94.39 161.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -155.41 162.83 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.599 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -86.17 148.19 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.921 HD23 ' HE1' ' A' ' 21' ' ' MET . 0.2 OUTLIER -114.08 75.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.65 ' NE2' HD21 ' A' ' 9' ' ' LEU . 2.8 tt0 -104.92 141.13 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.782 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -144.71 159.43 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.667 ' NE2' HD13 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -135.18 141.47 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.589 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 8.4 p -148.0 -180.0 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.214 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 1.054 HG22 HD13 ' A' ' 91' ' ' ILE . 99.0 t -131.06 104.5 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 5' ' ' LYS . 4.0 m -84.46 173.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -92.12 74.4 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 t70 57.7 -86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 60' ' ' GLU . 8.6 t0 -135.98 25.38 3.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.15 -53.71 5.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.5 t -106.04 98.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.87 165.16 43.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.09 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.418 HG21 HD21 ' A' ' 10' ' ' LEU . 1.2 m -75.27 -20.34 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.443 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -46.09 -51.69 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.9 -42.27 94.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 11.9 mt -61.99 -40.24 94.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.627 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 29.1 tt0 -74.91 -25.33 58.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -73.91 -16.31 61.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.735 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 6.1 pt20 -116.37 -47.42 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 89.7 mt -56.72 -83.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 70' ' ' GLU . 38.4 p -54.07 -18.44 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 72' ' ' GLN . . . -40.24 -29.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' THR . 1.4 m-85 -87.38 79.46 8.44 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.572 1.17 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 2.9 tt0 -70.35 -4.97 24.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -90.18 13.91 13.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 42.1 m-85 -155.44 -42.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG22 HG11 ' A' ' 12' ' ' VAL . 24.1 t -84.02 129.48 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 18.8 tt0 -86.69 -37.02 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 m 167.3 119.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.967 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.695 ' SD ' HD22 ' A' ' 10' ' ' LEU . 51.8 ttp -81.04 151.9 28.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 151.59 44.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 88' ' ' PHE . 4.2 p -89.62 124.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 -22.96 27.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.18 162.08 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -149.79 87.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -155.09 -178.82 7.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.79 167.2 22.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.054 HD13 HG22 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.782 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -91.09 170.87 9.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.684 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 34.0 t -143.75 157.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 83.52 90.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HE2' HG12 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -100.11 172.61 7.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.865 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -155.28 171.31 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.797 ' CB ' HD12 ' A' ' 91' ' ' ILE . 3.2 t -127.88 145.14 51.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 0.0 110.045 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.732 HD13 HG22 ' A' ' 59' ' ' VAL . 4.2 mp -132.99 123.55 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.859 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 16.3 tp -92.85 100.84 13.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.85 HD21 HG23 ' A' ' 66' ' ' THR . 7.8 mp -84.53 148.8 26.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 18.9 t0 -131.47 102.26 5.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.808 ' CG1' HG13 ' A' ' 80' ' ' VAL . 39.7 t -101.54 151.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.3 tttt -113.78 131.99 22.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.98 155.4 43.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.3 OUTLIER -67.43 -22.6 65.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.34 170.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -27.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 19' ' ' THR . 23.5 pt-20 -59.04 -48.95 79.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.92 ' CG2' HD12 ' A' ' 24' ' ' LEU . 4.0 m -43.92 102.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.69 105.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 mtt -67.67 -22.62 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.62 55.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -45.62 33.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.92 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -59.52 -40.77 88.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 3.5 tt0 -75.22 -31.42 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -63.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -41.81 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.614 HG13 ' CH2' ' A' ' 38' ' ' TRP . 2.1 t -40.25 -47.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -41.7 79.26 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' CYS . 1.7 p -52.5 -35.7 53.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 97.1 mt -50.31 126.77 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.51 157.25 3.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.18 131.05 46.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.54 9.06 64.28 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 69' ' ' LEU . 5.7 tp -101.36 124.66 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.14 134.21 61.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CH2' HG13 ' A' ' 28' ' ' VAL . 76.0 m95 -102.49 82.55 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.031 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . -43.61 -53.94 5.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.452 1.095 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER 160.98 135.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.928 ' HB2' HG22 ' A' ' 55' ' ' ILE . 77.5 p -85.24 167.02 16.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -137.7 165.13 27.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 43' ' ' LEU . 1.4 mm? -122.93 152.23 41.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 ' C ' ' A' ' 43' ' ' LEU . 84.4 t -154.25 99.63 2.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.45 25.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -102.47 -41.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.37 -128.99 2.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -130.06 88.01 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.95 -53.75 0.55 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.19 159.11 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -147.12 168.79 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.69 126.73 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -90.32 72.6 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 42' ' ' LYS . 2.4 mt-30 -96.88 137.11 36.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -136.77 161.42 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 58.5 tt0 -129.32 145.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 p -142.43 176.61 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 5' ' ' LYS . 77.6 t -134.96 74.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.903 HG12 HD12 ' A' ' 36' ' ' LEU . 33.2 m -85.56 175.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -84.44 171.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.31 4.47 15.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 18.3 t0 -155.88 25.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -125.73 -76.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.21 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.614 HG22 ' H ' ' A' ' 65' ' ' GLY . 3.6 p -119.15 177.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 64' ' ' VAL . . . -133.68 178.76 18.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.85 HG23 HD21 ' A' ' 10' ' ' LEU . 3.2 m -74.17 -22.27 59.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.438 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.12 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -38.0 -56.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 36' ' ' LEU . 11.3 mt -46.74 -65.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -45.09 -57.78 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.042 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.65 -24.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.44 ' HG2' ' CD1' ' A' ' 31' ' ' ILE . 7.4 tt0 -95.33 -40.39 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.1 mt -71.1 -67.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.487 ' HA ' HG21 ' A' ' 80' ' ' VAL . 2.9 t -58.59 -23.77 59.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.042 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -39.44 -30.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.78 69.75 9.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.65 -13.71 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.39 14.87 5.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.478 ' CD2' ' CD1' ' A' ' 76' ' ' PHE . 95.3 m-85 -151.77 -41.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.808 HG13 ' CG1' ' A' ' 12' ' ' VAL . 61.1 t -83.44 128.22 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.573 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -86.48 -31.17 21.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m 169.61 112.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.16 152.46 32.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.09 -173.17 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.84 134.26 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -93.36 -35.34 13.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.414 1.072 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.25 -177.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -154.68 110.85 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -138.05 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 0.4 OUTLIER -98.85 136.57 38.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.865 ' H ' ' HA ' ' A' ' 6' ' ' SER . 5.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.705 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtt . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 119.012 -0.518 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.533 HD22 ' OE2' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -56.7 136.32 55.04 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.566 HG22 ' H ' ' A' ' 4' ' ' ALA . 1.7 p -155.18 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 3' ' ' VAL . . . 72.9 86.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 4.9 mmtp -113.19 173.2 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.71 ' HA ' ' H ' ' A' ' 91' ' ' ILE . 32.2 t -155.37 163.58 39.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.717 ' HB2' HD13 ' A' ' 91' ' ' ILE . 1.4 t -118.91 101.49 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.751 HG22 ' CD1' ' A' ' 10' ' ' LEU . 8.6 mm -86.31 107.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 55' ' ' ILE . 12.2 tp -96.05 117.73 31.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.751 ' CD1' HG22 ' A' ' 8' ' ' ILE . 10.3 mp -109.19 149.23 29.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.88 91.93 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.598 ' CG1' HG13 ' A' ' 80' ' ' VAL . 29.2 t -88.75 148.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 128.11 25.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 142.96 28.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.423 1.749 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -48.02 -34.08 8.9 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.63 -176.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -18.13 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -71.84 -32.64 67.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.669 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.2 m -64.06 105.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 110.6 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.516 ' SD ' HD23 ' A' ' 53' ' ' LEU . 36.3 mmm -72.99 -29.38 63.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.602 1.188 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.84 80.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -73.02 -49.92 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.669 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -57.51 -39.99 77.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -68.15 -63.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' SER . 6.6 mm-40 -54.36 -52.26 62.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 41.6 t -43.71 -58.46 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.407 HG22 HG12 ' A' ' 73' ' ' ILE . 2.1 t -47.9 -48.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -27.79 69.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' GLU . 1.4 p -66.93 -9.33 37.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.922 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.692 HD12 ' HG2' ' A' ' 72' ' ' GLN . 18.3 mm -73.53 128.89 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.03 151.01 34.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -171.95 147.67 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.52 150.33 46.93 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.4 16.72 16.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.706 HD12 ' CG1' ' A' ' 59' ' ' VAL . 0.5 OUTLIER -102.41 138.36 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -138.73 97.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 12.9 m95 -65.17 102.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.042 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.82 -68.28 1.68 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.72 148.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 68.3 p -98.41 158.3 15.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.24 160.59 27.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.2 mm? -119.9 155.22 33.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG23 ' C ' ' A' ' 43' ' ' LEU . 93.1 t -154.04 101.05 2.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.62 22.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.76 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 47' ' ' GLY . 24.5 t -84.48 -85.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' HG12 ' A' ' 46' ' ' VAL . . . -146.66 -46.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.538 1.149 . . . . 0.0 111.058 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -157.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.22 13.84 56.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mp -102.88 158.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 9.1 mtpt -137.82 168.74 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.2 tttt -87.92 143.69 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.516 HD23 ' SD ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -100.63 75.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' ILE . 2.3 tt0 -97.49 142.89 28.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -147.89 152.44 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 2.4 tt0 -132.09 139.64 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.601 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -129.86 -170.77 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.746 HG13 HG21 ' A' ' 91' ' ' ILE . 57.1 t -153.5 73.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.706 ' CG1' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -92.17 174.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' OE2' HD22 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -82.06 172.76 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -86.34 8.76 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -151.69 25.83 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' CD ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -113.15 -89.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.694 ' O ' HG21 ' A' ' 59' ' ' VAL . 21.6 t -109.4 148.24 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.96 -82.59 1.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.105 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.505 ' OG1' HG21 ' A' ' 8' ' ' ILE . 1.1 m -170.86 -40.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.813 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -45.22 -57.49 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -57.02 -60.26 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 72.1 mt -50.29 -32.02 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.681 ' HG3' HG21 ' A' ' 74' ' ' THR . 24.1 tt0 -72.37 -57.24 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.997 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -57.12 -16.64 8.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.692 ' HG2' HD12 ' A' ' 31' ' ' ILE . 1.7 tt0 -99.4 -43.32 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 69' ' ' LEU . 63.8 mt -75.32 -60.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.681 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.8 p -67.17 -13.49 62.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.997 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -45.74 -26.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.6 OUTLIER -89.04 79.0 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.05 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.96 -5.47 31.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.42 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 4.1 t70 -94.63 10.32 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 78' ' ' ASP . 59.6 m-85 -145.31 -44.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.598 HG13 ' CG1' ' A' ' 12' ' ' VAL . 48.5 t -84.35 125.94 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.572 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 2.1 tt0 -84.91 -38.7 19.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.054 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.7 p -179.85 128.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.47 ' SD ' ' CG2' ' A' ' 74' ' ' THR . 6.1 ttt -104.56 154.06 20.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 83' ' ' MET . 1.6 m-20 -147.09 -175.24 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -105.61 124.69 60.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.609 1.193 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -84.9 -25.78 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 164.9 161.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -143.41 85.0 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -129.4 169.18 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 136.9 34.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.746 HG21 HG13 ' A' ' 58' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.777 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 118.896 -0.574 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 48.07 68.89 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -155.21 151.4 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.01 57.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HE2' HG12 ' A' ' 58' ' ' VAL . 2.4 mmmm -117.18 170.57 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 91' ' ' ILE . 22.3 t -155.67 165.74 35.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.545 ' HB2' HD12 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -119.93 142.46 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.046 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.497 ' CD1' HG22 ' A' ' 59' ' ' VAL . 4.7 mp -139.91 116.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.604 HD21 ' OE1' ' A' ' 54' ' ' GLN . 22.6 tp -87.27 117.63 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD21 HG23 ' A' ' 66' ' ' THR . 6.5 mp -99.86 153.47 19.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.68 94.75 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 80' ' ' VAL . 31.0 t -85.17 147.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 122.32 34.75 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HB3' ' CG2' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.02 133.65 16.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.428 1.751 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 27.9 m95 -43.11 -39.29 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.6 177.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -29.19 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.12 -43.12 73.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.785 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.2 m -56.63 99.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 142.43 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.85 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -100.48 -9.74 21.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.68 -30.5 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -86.74 -47.9 8.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.785 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER -58.15 -37.99 75.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.1 -36.56 58.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ARG . 2.3 tt0 -72.58 -59.12 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' GLU . 20.8 t -41.64 -64.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.255 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.773 HG11 HG21 ' A' ' 55' ' ' ILE . 2.4 t -40.11 -39.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -75.44 -54.09 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ILE . 86.0 p -38.46 -46.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.792 HG21 HD23 ' A' ' 69' ' ' LEU . 87.0 mt -39.96 127.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.77 150.88 50.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.944 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -164.18 146.59 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.27 -52.91 63.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.53 26.14 8.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.944 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -121.75 124.51 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.374 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.77 99.66 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.607 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 7.1 m95 -66.02 140.31 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 107.985 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.05 -94.79 2.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.54 134.76 15.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.067 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -97.83 157.76 15.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -134.76 163.84 28.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 52' ' ' LYS . 2.9 mm? -121.49 159.59 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 43' ' ' LEU . 53.1 t -155.23 99.0 2.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.53 1.805 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -90.86 -32.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.14 -61.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 175.25 -34.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.55 -58.24 2.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 2.1 mp -92.82 161.11 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 19.9 mtmt -148.72 160.24 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' O ' HD13 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -86.59 143.89 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.85 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -112.95 73.74 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.604 ' OE1' HD21 ' A' ' 9' ' ' LEU . 3.2 tt0 -100.93 141.42 33.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.773 HG21 HG11 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -150.09 157.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -121.76 142.76 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.607 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -132.31 -171.73 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 108.216 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.637 HG22 HD13 ' A' ' 91' ' ' ILE . 84.9 t -151.23 78.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' ' 8' ' ' ILE . 2.7 m -84.51 175.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -84.32 173.38 11.0 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.62 3.95 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -160.42 26.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -132.33 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.844 HG13 ' OD1' ' A' ' 67' ' ' ASP . 96.9 t -129.61 141.79 45.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 66' ' ' THR . . . -145.31 87.27 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.739 HG23 HD21 ' A' ' 10' ' ' LEU . 41.0 m 35.09 42.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.757 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.844 ' OD1' HG13 ' A' ' 64' ' ' VAL . 3.1 p-10 -101.03 -60.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.553 ' HE3' ' HG3' ' A' ' 72' ' ' GLN . 2.6 ttp -68.96 -47.52 65.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.792 HD23 HG21 ' A' ' 31' ' ' ILE . 21.0 mt -51.91 -31.83 30.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 74' ' ' THR . 13.2 tt0 -73.0 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.939 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -59.97 -11.15 5.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.553 ' HG3' ' HE3' ' A' ' 68' ' ' MET . 2.8 mm-40 -102.2 -52.48 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.559 HG12 HG22 ' A' ' 28' ' ' VAL . 45.5 mt -67.82 -50.75 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 70' ' ' GLU . 3.2 p -78.2 4.65 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.939 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -73.7 -7.99 54.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.51 79.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -4.99 39.09 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.73 17.84 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -155.03 -43.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 12' ' ' VAL . 68.8 t -84.53 131.07 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.565 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 20.5 tt0 -84.95 -36.08 21.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 p 172.89 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 84' ' ' ASP . 6.4 ttp -79.98 149.23 30.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 83' ' ' MET . 3.7 m-20 -143.98 -175.67 4.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.22 126.13 71.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 -20.49 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.44 165.59 2.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.89 88.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -142.93 172.44 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.557 ' HG3' ' H ' ' A' ' 91' ' ' ILE . 11.9 tttt -74.95 164.42 26.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.637 HD13 HG22 ' A' ' 58' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.793 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 118.995 -0.526 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.11 142.51 32.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.737 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 76.7 t -140.54 150.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 88.65 77.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 60' ' ' GLU . 12.1 mmtp -90.76 175.23 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.52 128.82 12.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.609 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.92 95.88 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.587 HG12 ' CD1' ' A' ' 88' ' ' PHE . 2.7 mp -84.82 142.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 56' ' ' GLN . 43.4 tp -117.03 99.56 7.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.645 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -89.42 129.83 35.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -103.18 97.28 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.675 HG13 HG13 ' A' ' 80' ' ' VAL . 60.1 t -84.95 151.1 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 127.12 25.65 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 144.35 29.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 4.7 m95 -58.14 -27.84 64.14 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -178.47 -176.5 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -21.29 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.79 -23.59 66.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.657 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.5 m -66.37 109.74 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.398 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.88 95.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 53' ' ' LEU . 28.5 mmm -62.41 -30.38 71.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.82 -40.09 79.68 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.42 20.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.657 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -56.13 -41.3 75.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.27 -47.58 49.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -61.72 -61.24 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -47.37 -47.82 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.579 HG11 HG21 ' A' ' 55' ' ' ILE . 1.3 t -44.66 -44.25 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -44.05 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 p -49.17 -24.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 72' ' ' GLN . 56.6 mt -54.86 128.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 138.79 47.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -159.78 155.52 25.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.364 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 132.7 50.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.51 8.17 59.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.993 HD12 HG12 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -102.14 116.94 33.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.8 135.93 60.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.487 ' CE3' ' SG ' ' A' ' 57' ' ' CYS . 24.7 m95 -94.16 121.22 35.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 107.992 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.0 -91.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.98 130.34 11.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 90.4 p -88.5 161.61 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.46 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -128.73 154.97 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 52' ' ' LYS . 3.5 mm? -124.15 148.61 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' LYS . 1.8 t -151.3 134.98 9.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.93 138.63 23.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' PRO . 6.1 t -154.4 126.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.9 -147.4 29.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 107.29 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.794 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.13 -0.13 84.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 3.6 mt -102.42 162.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -144.96 168.32 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.698 ' O ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -93.46 135.66 34.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.631 HD23 ' SD ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -102.74 68.63 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.243 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.618 ' OE1' HD21 ' A' ' 9' ' ' LEU . 12.6 tt0 -97.1 140.63 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.785 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -150.56 152.05 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.84 ' HB2' HD13 ' A' ' 9' ' ' LEU . 33.4 tt0 -116.94 141.73 47.85 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 1.063 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.487 ' SG ' ' CE3' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -116.63 -166.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 58' ' ' VAL . 94.6 t -151.39 59.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.993 HG12 HD12 ' A' ' 36' ' ' LEU . 2.2 m -83.98 163.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -81.94 4.76 21.4 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -144.55 25.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 -92.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 65' ' ' GLY . 71.8 t -108.58 165.62 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.504 ' N ' HG12 ' A' ' 64' ' ' VAL . . . -135.04 -162.08 9.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.467 HG23 ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -74.97 -30.67 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -39.18 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -39.35 -56.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -49.83 -58.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.685 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 53.4 tt0 -50.71 -52.18 42.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.858 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -65.38 -9.78 27.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' HD13 ' A' ' 31' ' ' ILE . 1.6 tt0 -97.83 -50.97 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.79 -63.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -54.81 -23.87 20.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -40.41 -29.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -94.06 82.09 4.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 5.2 mm-40 -69.89 -9.57 55.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.22 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.37 10.13 23.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -147.62 -41.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.675 HG13 HG13 ' A' ' 12' ' ' VAL . 61.7 t -83.37 127.9 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 27.3 tt0 -84.84 -35.01 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 p 168.57 113.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.685 ' HE1' ' HB2' ' A' ' 70' ' ' GLU . 24.0 ttp -77.11 150.72 35.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 83' ' ' MET . 0.8 OUTLIER -142.42 -174.97 4.28 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.634 1.209 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.37 137.86 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.203 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -110.7 -20.44 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -176.29 145.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.587 ' CD1' HG12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -155.46 85.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -155.73 -177.54 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.21 140.82 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.609 HD12 ' CB ' ' A' ' 7' ' ' SER . 34.6 mt . . . . . 0 N--CA 1.449 -0.498 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.778 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 118.95 -0.548 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 2' ' ' LEU . 6.4 tt -44.93 109.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.698 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 2.2 p -155.21 173.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 84.12 83.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HE2' HG12 ' A' ' 58' ' ' VAL . 1.1 mmmm -97.74 165.0 12.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.718 ' HA ' HG22 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -157.39 172.19 19.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.542 ' CB ' ' HB ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -117.04 147.37 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.543 HG22 ' CD1' ' A' ' 10' ' ' LEU . 3.1 mp -144.93 129.08 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 55' ' ' ILE . 18.7 tp -102.95 111.21 23.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.961 HD21 HG23 ' A' ' 66' ' ' THR . 5.4 mp -101.54 141.49 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.76 107.91 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.591 HG12 ' CG1' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -108.13 129.34 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.9 tttt -88.89 137.54 29.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.5 Cg_endo -74.92 143.14 28.98 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -54.53 -21.88 11.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER 163.09 166.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' A' ' 16' ' ' ASP . 0.5 OUTLIER -40.83 -31.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' ASP . 11.4 pt-20 -56.98 -51.0 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.9 ' CG2' HD12 ' A' ' 24' ' ' LEU . 2.0 m -39.98 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.24 99.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.638 ' HE2' HD23 ' A' ' 53' ' ' LEU . 15.4 mtp -66.13 -18.36 65.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.59 50.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -37.04 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.9 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -67.38 -41.12 85.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -52.2 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.257 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -58.31 -55.72 31.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.7 t -48.39 -53.54 17.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.601 ' O ' ' CZ2' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -48.01 -38.12 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -34.98 62.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 p -69.23 -26.94 65.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.776 HD12 ' HG2' ' A' ' 72' ' ' GLN . 22.1 mm -44.5 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.061 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 139.83 51.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' N ' HD23 ' A' ' 36' ' ' LEU . . . -159.79 167.47 28.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -76.74 140.26 40.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.22 16.88 36.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 111.051 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.629 HD13 HD11 ' A' ' 69' ' ' LEU . 8.1 tp -93.88 142.29 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.757 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.53 114.45 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 28' ' ' VAL . 17.8 m95 -84.29 123.0 29.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 107.996 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 -80.9 1.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -164.72 134.85 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -91.54 155.1 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 153.5 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.7 mm? -114.67 160.69 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' LEU . 2.7 t -153.72 100.43 2.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.47 23.04 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -106.35 -70.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 48' ' ' TYR . . . -173.92 174.82 46.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 2.5 t80 68.61 -63.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.784 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 161.04 40.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.421 HG23 ' HG2' ' A' ' 14' ' ' PRO . 12.6 mt -129.58 157.16 42.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' HB3' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.28 169.45 17.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.11 125.51 37.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.638 HD23 ' HE2' ' A' ' 21' ' ' MET . 0.2 OUTLIER -85.01 63.34 8.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.69 137.07 32.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.598 HG21 HG11 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -147.29 156.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' HG2' ' N ' ' A' ' 57' ' ' CYS . 7.2 tm0? -122.82 144.03 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 1.067 . . . . 0.0 110.39 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -147.19 155.18 41.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 91' ' ' ILE . 21.7 t -108.83 77.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 69' ' ' LEU . 2.2 m -84.03 165.58 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -84.27 172.61 11.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 110.3 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.57 5.15 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 5.0 t70 -91.02 -67.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.86 -24.45 9.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 60' ' ' GLU . 21.7 t -83.97 151.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.51 170.56 37.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.956 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.961 HG23 HD21 ' A' ' 10' ' ' LEU . 1.6 m -72.92 -26.14 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -72.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -65.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.629 HD11 HD13 ' A' ' 36' ' ' LEU . 41.1 mt -44.51 -47.17 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.615 ' HG3' HG21 ' A' ' 74' ' ' THR . 14.8 tt0 -61.41 -50.34 73.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.999 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.5 mm-40 -59.06 -14.3 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.776 ' HG2' HD12 ' A' ' 31' ' ' ILE . 2.1 tt0 -101.26 -49.25 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.84 -56.46 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.615 HG21 ' HG3' ' A' ' 70' ' ' GLU . 9.6 p -72.22 -6.19 41.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 110.422 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.999 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -60.12 -20.31 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.0 85.3 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 8.8 mt-10 -79.71 -4.21 50.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.68 12.63 24.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -149.34 -43.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' CG1' HG12 ' A' ' 12' ' ' VAL . 97.7 t -84.27 128.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.574 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 1.3 tt0 -84.55 -35.97 22.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -176.97 131.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.478 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 1.3 tmt? -104.36 151.83 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.92 -173.16 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.8 131.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . -93.79 -20.53 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -177.79 161.82 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.68 89.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -143.87 -176.15 4.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' CD ' ' H ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.1 146.79 27.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.955 HD13 HG22 ' A' ' 58' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.772 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 119.02 -0.514 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 58.07 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.569 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -152.8 172.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 3' ' ' VAL . . . 75.64 80.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -103.43 172.7 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 34.1 t -154.78 166.91 31.99 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.445 1.091 . . . . 0.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.778 ' C ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -114.56 147.1 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.97 HD13 HG13 ' A' ' 59' ' ' VAL . 4.8 mp -145.0 101.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 54' ' ' GLN . 8.7 tp -85.99 131.89 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.771 HD21 ' CG2' ' A' ' 66' ' ' THR . 9.6 mp -120.71 153.01 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.81 127.38 26.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.772 HG13 HG13 ' A' ' 80' ' ' VAL . 68.7 t -120.45 150.24 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 125.69 29.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.77 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.561 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 20.2 m95 -48.72 -35.5 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -167.23 -175.99 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -21.5 66.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.09 -37.52 85.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.864 ' CG2' HD12 ' A' ' 24' ' ' LEU . 1.8 m -49.93 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -46.12 128.11 9.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.796 ' CE ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -79.48 -32.75 42.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . -62.2 -45.59 92.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -53.12 30.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.864 HD12 ' CG2' ' A' ' 19' ' ' THR . 0.5 OUTLIER -55.44 -39.95 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -75.3 -40.13 58.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' ALA . 2.5 tt0 -67.45 -54.13 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLU . 49.7 t -40.99 -56.42 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.913 HG22 HG12 ' A' ' 73' ' ' ILE . 21.0 t -50.2 -68.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' NE1' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -44.85 -49.35 10.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -41.12 -31.03 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 HD11 HG13 ' A' ' 73' ' ' ILE . 44.6 mt -55.95 119.35 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.75 143.7 48.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.951 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . . . -163.3 129.27 3.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -46.51 -47.92 19.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' C ' HG21 ' A' ' 64' ' ' VAL . . . -89.67 24.56 14.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.409 1.068 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.951 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 2.0 tp -122.35 118.75 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 t -115.57 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.587 ' CZ3' ' HB3' ' A' ' 57' ' ' CYS . 3.1 m95 -60.66 137.39 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 107.998 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.66 -117.91 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.614 1.197 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.9 p -129.92 131.27 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 55' ' ' ILE . 7.6 p -89.89 159.86 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.971 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -127.01 154.02 45.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 mm? -119.17 155.45 31.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' LYS . 3.0 t -151.42 116.56 3.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 155.7 43.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 47' ' ' GLY . 47.2 t -133.69 168.32 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' HG12 ' A' ' 46' ' ' VAL . . . -60.27 168.86 8.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 68.73 -64.71 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 159.45 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 51' ' ' LYS . 13.6 mt -114.32 163.66 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 5.0 mtpt -139.41 159.14 42.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 ttmt -93.39 148.38 22.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.796 HD23 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -108.63 69.61 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' A' ' 9' ' ' LEU . 10.7 tt0 -93.23 139.33 30.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.636 HG13 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -146.1 160.24 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' NE2' ' C ' ' A' ' 8' ' ' ILE . 15.4 tp60 -126.65 141.72 51.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.587 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -133.76 160.18 38.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.287 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' SER . 48.6 t -124.84 108.93 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.97 HG13 HD13 ' A' ' 8' ' ' ILE . 1.4 m -100.04 170.97 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.185 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' ASP . 4.2 mm-40 -84.23 72.11 10.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD2' ' HB1' ' A' ' 4' ' ' ALA . 0.4 OUTLIER 68.28 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . 13.1 t70 -155.13 27.64 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.369 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 15.5 tttt -82.38 -57.08 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 35' ' ' GLY . 6.4 t -96.4 116.84 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.58 167.88 22.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.771 ' CG2' HD21 ' A' ' 10' ' ' LEU . 1.2 m -75.73 -0.51 21.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 0.792 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -59.07 5.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -59.97 -56.94 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 36' ' ' LEU . 1.4 mp -51.6 -50.67 59.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.583 ' HG3' HG21 ' A' ' 74' ' ' THR . 22.2 tt0 -56.14 -51.18 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 1.042 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -58.18 -15.84 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -99.69 -46.12 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.913 HG12 HG22 ' A' ' 28' ' ' VAL . 6.2 mt -69.6 -53.13 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.583 HG21 ' HG3' ' A' ' 70' ' ' GLU . 15.1 p -75.11 -1.71 24.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.042 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -70.15 -12.22 61.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.3 95.55 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' NE1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -87.83 -5.72 58.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 1.7 p-10 -95.15 16.05 17.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CD1' ' O ' ' A' ' 78' ' ' ASP . 43.8 m-85 -153.2 -44.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.772 HG13 HG13 ' A' ' 12' ' ' VAL . 71.8 t -84.75 129.65 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.561 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 21.1 tt0 -84.93 -36.16 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m 174.46 115.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.488 ' CB ' HG22 ' A' ' 74' ' ' THR . 1.1 tmt? -87.2 152.06 22.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -147.84 -173.68 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.85 143.96 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 87' ' ' ALA . . . -102.92 -29.0 11.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 86' ' ' ALA . . . 170.77 173.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.28 92.32 1.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -148.84 172.41 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 91' ' ' ILE . 18.5 tttm -82.34 165.23 20.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.484 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.763 179.883 . . . . . . . . 2 2 . 1 stop_ save_