data_1j03_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 1j03 _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 ' 0' ' ' PRO . . . . . 0.555 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 6.4 mtt -73.06 -33.21 65.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.3 mt-10 53.51 107.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.7 m-85 -108.45 130.69 55.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.7 p -74.83 154.0 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -30.74 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -69.45 -47.32 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.534 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.6 -40.88 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -61.72 -29.33 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -77.97 4.58 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.438 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 12.1 mt-30 -100.11 12.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 42.6 m-85 -137.04 41.13 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -84.47 5.66 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 83.45 101.3 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.2 mp -123.75 119.08 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.0 m-30 -124.05 132.39 53.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.703 HG21 ' CE1' ' A' ' 38' ' ' TYR . 5.1 t -112.5 149.88 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.72 134.73 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 88' ' ' PHE . 8.3 mt -141.71 110.35 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER 64.99 15.25 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.64 17.22 29.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 2.5 ttm-85 -116.42 126.58 53.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.496 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 42.3 t -82.58 122.25 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 94' ' ' VAL . 30.5 m-85 -115.16 158.43 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.621 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -104.01 124.88 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.743 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 11.1 m -127.63 6.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.551 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.93 -24.49 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.0 p -56.4 -9.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.49 47.29 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -50.4 -22.83 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.69 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 73.1 m-85 -108.22 -44.12 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -91.97 -38.04 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.83 168.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -35.89 124.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.961 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.05 87.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.5 -176.87 25.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -41.84 -49.9 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.0 m-85 -104.57 59.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -74.72 -31.9 61.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -23.21 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.671 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 13.4 m-30 -84.91 -32.82 22.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.19 123.91 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 60.91 30.43 73.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 8.4 mttt -157.6 149.91 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.719 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 22.2 t0 -87.15 111.24 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.671 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -100.59 52.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p -73.39 -53.43 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 2.4 mtp180 -68.2 -44.61 75.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CA ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.76 -36.72 77.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.597 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 16.5 mt -70.71 -43.07 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -54.23 -75.22 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -63.44 -21.83 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 2.1 mtp 68.89 50.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -28.89 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 47' ' ' PHE . 13.1 mttt 66.63 19.22 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.52 146.93 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.26 -23.22 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 18.1 m-20 -75.22 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 2.9 t -83.76 89.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 69' ' ' SER . 4.1 t -113.82 131.45 23.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.719 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 10.66 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -150.86 143.2 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -89.43 36.19 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.02 53.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.12 -26.14 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' CD2' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -41.47 110.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.51 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.5 p -76.93 -171.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.37 -41.36 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 8.7 ptpt -53.02 -52.01 59.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.808 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -74.99 -41.09 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -55.79 -49.2 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.44 -50.01 60.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 84' ' ' TRP . 72.7 m -79.39 -46.84 16.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.808 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -57.9 -56.4 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' ILE . 7.2 t-20 -51.67 -42.93 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -31.73 64.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.597 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.3 m95 -60.13 -32.73 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -62.17 -46.36 89.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -64.54 -36.7 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.5 mttm -66.26 -46.84 75.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.7 m-85 -79.56 -36.85 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 85' ' ' GLU . 7.8 tp10 -69.83 -38.26 76.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -91.59 31.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 39.5 mttt -153.89 -60.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 15.9 m-85 -87.13 138.37 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.94 139.74 24.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 74.8 t -93.28 109.44 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.7 m -89.5 -11.0 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 171.23 177.51 41.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.165 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.84 130.31 52.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' GLY . 39.1 t -50.79 133.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -83.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . 0.55 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' GLU . 54.9 mtp -71.07 -35.41 71.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' MET . 7.5 mt-10 55.36 110.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 26.7 m-85 -108.91 129.79 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -77.83 163.71 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.8 -35.85 61.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.57 -46.05 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.691 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.07 -31.12 64.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 3.3 tp -82.73 -24.23 33.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 81.6 p -87.45 22.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.603 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 5.6 pt20 -133.02 15.9 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.691 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 51.0 m-85 -138.93 60.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 13.5 p30 -113.63 17.76 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.12 47.57 23.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.397 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.649 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.9 mp -112.52 121.5 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.423 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 21.9 m-30 -128.53 129.17 45.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.643 HG22 ' CE1' ' A' ' 38' ' ' TYR . 12.4 t -109.68 155.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -111.67 143.58 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 88' ' ' PHE . 2.9 mt -149.24 111.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' CD ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER 60.2 17.51 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.04 16.47 32.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -114.41 129.26 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.512 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 55.6 t -86.49 122.12 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 94' ' ' VAL . 41.1 m-85 -116.76 149.67 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.635 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -96.29 126.16 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.8 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 15.4 m -127.38 3.8 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.545 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -49.41 -25.77 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -8.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.01 47.7 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.1 pttt -49.5 -23.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 t -60.36 -17.83 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' O ' ' N ' ' A' ' 43' ' ' ASP . 32.0 m-85 -107.41 -43.76 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.8 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 1.5 m-85 -92.9 -38.08 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.92 177.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLY . 8.1 t -39.31 140.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.5 71.12 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -132.31 175.12 20.03 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 37' ' ' PHE . 4.4 m-20 -43.38 -50.28 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m-85 -102.47 61.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t -74.55 -33.05 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.1 -30.32 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 4.5 m-30 -77.78 -32.78 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.41 123.27 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 61.02 33.34 83.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 33.0 mtmt -161.57 152.01 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.657 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 43.7 t0 -88.98 107.47 19.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -100.94 59.98 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -74.95 -54.05 7.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 5.4 mtm180 -61.37 -49.68 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.637 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 17.1 mt -73.14 -42.74 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -59.88 -75.19 0.29 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -61.0 -20.81 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER 67.31 54.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -112.64 -44.09 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 60' ' ' SER . 10.7 mttp 86.83 18.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.465 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.7 m120 -57.5 147.51 26.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.96 -24.43 55.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -89.94 -21.46 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.551 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 2.5 m-20 -65.27 -43.67 90.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 58.5 t -35.64 109.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -121.39 109.62 34.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 7.79 2.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.65 156.31 40.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.94 49.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.06 70.62 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.95 -11.87 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 4.0 mm? -67.46 100.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.534 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.9 p -78.52 -175.46 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.495 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.7 OUTLIER -67.6 -42.02 83.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 2.7 ptpt -53.04 -52.61 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.752 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -75.13 -41.24 58.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -52.8 -47.88 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -48.08 -53.83 15.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.55 HG22 ' CD1' ' A' ' 84' ' ' TRP . 16.8 m -80.35 -46.7 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -56.47 -57.94 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 78' ' ' ILE . 8.5 t-20 -51.53 -43.55 62.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.57 -30.36 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.74 -47.33 86.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.92 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -74.0 -43.97 56.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.9 OUTLIER -71.09 -43.25 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.47 ' CB ' ' HE1' ' A' ' 29' ' ' PHE . 1.4 pp20? -71.79 -20.18 61.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.84 -15.4 34.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.06 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.635 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 12.6 m-85 -69.69 138.78 88.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 135.22 18.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.529 HG23 ' CE1' ' A' ' 29' ' ' PHE . 39.0 t -91.36 109.12 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.68 -14.32 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -177.77 42.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.577 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.75 134.32 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' GLY . 18.7 t -49.39 143.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -90.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.6 mtm -67.08 -31.96 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.6 mt-10 54.33 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 96.2 m-85 -108.84 129.15 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.4 p -77.98 157.48 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.18 -29.4 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -71.84 -47.09 55.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.599 ' NE2' HE22 ' A' ' 10' ' ' GLN . 1.1 mm-40 -73.42 -37.95 65.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.31 -28.67 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -77.77 2.4 17.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.599 HE22 ' NE2' ' A' ' 7' ' ' GLN . 6.5 mt-30 -99.93 2.51 43.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 49.4 m-85 -129.96 58.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -113.43 11.29 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.67 45.76 6.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.1 mp -122.11 121.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.3 m-30 -126.28 131.97 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG23 ' CE1' ' A' ' 38' ' ' TYR . 7.7 t -110.01 151.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -112.49 136.4 52.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.599 HD11 ' CD2' ' A' ' 88' ' ' PHE . 54.7 mt -144.81 111.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER 64.23 15.21 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.09 33.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.2 ttm-85 -112.64 129.16 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 95' ' ' VAL . 24.5 t -87.23 123.18 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 40.2 m-85 -119.08 150.34 40.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.63 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.53 127.24 43.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.755 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -130.86 7.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.577 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.08 -24.33 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.4 p -55.66 -8.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -155.29 48.65 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 10.1 pttt -49.88 -24.21 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -57.3 -17.96 14.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.4 m-85 -108.64 -42.87 4.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.847 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -95.78 -38.36 10.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -54.78 -116.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -57.59 -154.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 66.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -89.9 -137.62 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -101.87 -27.41 13.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.847 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.4 m-85 -110.38 44.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.9 74.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.591 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.96 -27.94 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 6.2 m-30 -80.53 -33.25 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.54 133.21 25.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.76 37.05 20.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 17.2 mttp -160.21 153.41 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.612 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 28.3 t0 -90.27 95.86 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.675 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -89.32 62.9 6.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 p -74.46 -56.29 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.549 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 49.6 mtp180 -62.06 -47.27 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 47' ' ' PHE . . . -58.43 -36.46 73.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.606 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 19.1 mt -72.01 -44.55 63.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.52 -78.5 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -18.75 21.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.6 mtp 73.91 38.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.13 -172.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.31 25.03 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.507 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 2.8 m120 -62.56 139.21 58.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.77 -21.93 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.81 -20.86 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 2.0 m-20 -62.17 -47.41 84.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 71.6 t -45.67 113.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.447 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -127.8 112.15 20.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.612 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.02 7.84 2.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -141.39 119.05 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' GLY . 58.0 mt -36.98 -48.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.3 mt-10 -35.7 94.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 133.94 -33.74 2.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.508 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 2.3 mm? -63.0 113.25 2.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.467 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 43.8 p -82.94 -176.62 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -68.38 -40.62 81.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.9 ptpt -53.83 -49.08 69.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.752 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.1 pt-20 -78.67 -41.6 30.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -53.54 -46.92 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 2.2 m-20 -50.52 -50.78 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.549 HG21 ' CD1' ' A' ' 84' ' ' TRP . 19.5 m -81.24 -47.29 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -57.76 -59.62 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.6 t-20 -49.2 -40.33 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.68 -31.4 61.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.606 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 1.5 m95 -59.18 -41.05 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.981 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -60.28 -46.09 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -65.05 -34.87 79.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -74.12 -42.17 60.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.4 m-85 -73.3 -42.53 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -71.96 -20.09 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.23 -10.93 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 -68.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 15.2 m-85 -67.43 138.5 94.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.98 136.93 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 29' ' ' PHE . 21.5 t -91.55 107.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 28' ' ' VAL . 29.5 m -83.43 -11.13 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 162.49 -172.91 38.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.452 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 1.5 ppt_? -120.59 141.32 50.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' GLY . 10.0 t -58.23 127.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -111.25 -88.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLU . 38.7 mtm -64.58 -35.34 80.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 1.3 mt-10 57.14 114.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.8 m-85 -108.95 129.2 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -77.34 158.67 30.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.78 -33.57 49.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.58 -44.97 63.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.03 -42.91 65.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.46 -37.7 76.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -65.75 -10.84 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 9.3 mm100 -74.94 -19.9 59.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.537 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 9.5 m-85 -121.43 67.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.27 13.27 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.48 100.14 0.55 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.468 HG23 ' CG2' ' A' ' 31' ' ' VAL . 3.5 mp -125.96 124.11 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.539 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.7 m-30 -124.63 130.49 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.608 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 t -108.98 153.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -112.73 136.84 51.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 88' ' ' PHE . 23.9 mt -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' CD ' HD23 ' A' ' 70' ' ' LEU . 11.1 mmmm 66.78 14.87 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.43 14.71 43.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.48 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 4.3 ttm180 -112.73 131.39 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 12.5 t -87.15 122.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CE1' HG21 ' A' ' 94' ' ' VAL . 40.5 m-85 -118.26 144.98 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.654 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -90.25 126.56 35.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.833 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 23.2 m -128.37 4.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.55 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.24 -22.93 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.8 p -54.8 -8.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -151.2 50.06 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLY . 14.6 pttt -49.21 -24.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.2 m-85 -107.91 -42.39 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.833 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 5.0 m-85 -92.88 -37.95 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.68 169.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.1 t -33.94 123.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.93 87.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -148.92 -176.02 21.89 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.38 -51.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.689 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 1.3 m-85 -110.71 63.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -28.04 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.74 -31.04 24.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.703 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.9 m-30 -75.3 -33.19 61.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' ASN . . . -49.37 130.22 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.12 38.15 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.6 OUTLIER -163.09 153.06 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.635 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 61.4 t0 -86.52 116.98 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.703 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -114.7 46.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -72.27 -41.17 67.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' CD ' ' HB3' ' A' ' 67' ' ' SER . 5.2 mtm180 -66.78 -53.71 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 59' ' ' MET . . . -60.83 -34.61 74.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 9.6 mt -61.88 -43.56 98.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.51 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.6 -68.93 1.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -60.54 -25.15 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER 65.69 50.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -113.49 -23.57 9.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.55 12.88 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.5 m120 -50.33 148.58 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -24.74 59.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.36 -20.93 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -67.99 -43.72 78.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 54.7 t -52.45 121.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.485 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 1.5 t -152.97 134.25 8.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.635 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.04 6.99 3.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.609 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -154.93 87.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.609 ' C ' ' O ' ' A' ' 69' ' ' SER . 3.6 pp -22.48 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.529 ' C ' ' O ' ' A' ' 70' ' ' LEU . 9.3 mm-40 26.96 41.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 158.08 39.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.506 ' HG ' ' CB ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -93.07 107.62 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.564 ' OG1' ' CD ' ' A' ' 77' ' ' GLU . 24.8 p -74.15 -173.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.564 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -68.9 -43.16 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -52.97 -51.77 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.75 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pm0 -75.69 -38.63 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -52.62 -30.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -82.45 -51.88 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.597 HG21 ' CD1' ' A' ' 84' ' ' TRP . 32.1 m -69.97 -47.31 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.75 ' N ' ' O ' ' A' ' 77' ' ' GLU . 1.5 tm? -57.12 -54.54 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.4 m-80 -50.45 -59.46 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -58.23 -33.27 69.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.597 ' CD1' HG21 ' A' ' 80' ' ' THR . 0.2 OUTLIER -59.39 -48.67 80.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -62.19 -47.5 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.0 mttm -73.39 -43.68 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.552 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.2 m-85 -70.43 -43.52 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.25 -18.77 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.59 -16.02 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -68.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.654 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 12.1 m-85 -69.6 138.65 88.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.07 138.84 23.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.582 HG21 ' CE1' ' A' ' 29' ' ' PHE . 34.7 t -91.36 109.57 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.409 ' CG2' HG12 ' A' ' 28' ' ' VAL . 22.1 m -88.73 -5.8 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.86 -175.02 40.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.454 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 2.4 ppt_? -126.07 135.86 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' GLY . 54.4 t -58.28 124.84 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -107.93 -53.22 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -65.26 -34.01 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.3 mt-10 58.04 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 67.6 m-85 -109.45 130.23 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.2 p -74.87 155.65 37.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 110.368 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.82 53.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -46.97 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -35.34 66.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -32.42 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -72.42 -0.56 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.438 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.1 mt-30 -95.26 14.83 20.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 28.8 m-85 -137.18 38.59 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -88.97 15.81 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.26 108.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.1 mp -123.1 116.2 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 22.1 m-30 -126.94 133.58 50.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.694 HG23 ' CE1' ' A' ' 38' ' ' TYR . 8.4 t -112.88 149.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -108.46 134.25 51.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.599 HD12 ' CD2' ' A' ' 88' ' ' PHE . 12.7 mt -141.17 110.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER 65.23 16.16 10.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.95 14.56 39.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 2.4 ttm-85 -113.55 128.41 56.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 40.7 t -84.92 122.65 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 40.9 m-85 -118.19 153.16 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.62 127.57 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.744 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 11.8 m -128.46 7.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.587 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.15 -25.9 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -8.96 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.58 48.07 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.13 -23.46 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.88 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.0 m-85 -107.94 -44.36 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.835 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -92.37 -38.15 12.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.94 172.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -36.02 127.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 41.42 88.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.23 -178.5 26.98 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -41.24 -51.48 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.835 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -103.11 59.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -33.31 62.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.534 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.12 -23.31 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.1 m-30 -84.8 -33.4 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.16 126.59 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 57.18 34.23 66.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 8.1 mttm -162.17 151.06 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.667 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 25.1 t0 -86.47 111.64 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.693 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -104.66 52.3 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' CB ' HD22 ' A' ' 81' ' ' LEU . 52.2 m -75.44 -46.99 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.542 ' CG ' ' OG ' ' A' ' 67' ' ' SER . 6.8 mtm180 -67.48 -49.32 64.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.42 -34.43 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 19.5 mt -70.99 -41.06 71.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.02 -77.74 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.513 ' CE ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.8 53.26 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -112.31 -18.46 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 60' ' ' SER . 9.1 ptpt 51.27 23.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' OD1' ' HB2' ' A' ' 64' ' ' GLU . 2.6 t-20 -73.25 131.8 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -16.46 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -89.6 -22.13 22.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.1 m-20 -76.65 -37.03 56.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 45.4 t -39.97 124.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.542 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 9.4 p -146.23 121.07 5.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.667 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 8.91 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.08 140.99 20.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -87.37 41.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.11 49.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.82 -24.87 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.505 ' CD1' ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -41.96 117.08 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.453 ' OG1' ' HG2' ' A' ' 77' ' ' GLU . 19.4 p -79.12 -176.76 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.528 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.45 -40.34 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.98 -48.0 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.811 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt-20 -80.08 -42.32 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -52.45 -48.48 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -54.58 -47.02 73.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 84' ' ' TRP . 50.1 m -79.99 -48.28 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.811 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -58.76 -58.16 9.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 9.0 t-20 -51.84 -39.83 59.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -35.07 63.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -59.22 -32.59 70.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.986 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 5.7 tt0 -62.77 -50.67 70.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.1 m -60.6 -33.41 72.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 21.2 mttt -73.81 -40.89 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.599 ' CD2' HD12 ' A' ' 24' ' ' ILE . 1.1 m-85 -79.05 -42.79 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -68.5 -34.24 75.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -89.32 29.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 15.7 mttt -154.03 -57.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 14.4 m-85 -85.83 138.58 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.97 136.81 20.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.4 t -89.03 110.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.422 ' CG2' HG12 ' A' ' 28' ' ' VAL . 22.1 m -90.64 -9.16 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 167.79 -177.63 42.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.563 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.89 133.62 53.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.526 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 37.3 t -55.58 122.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -104.94 -52.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt -66.57 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.2 mt-10 58.99 116.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.508 ' CE1' HG21 ' A' ' 95' ' ' VAL . 57.5 m-85 -111.53 130.21 55.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.9 p -77.16 154.99 32.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.66 47.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -71.59 -46.78 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -72.96 -38.5 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -29.25 70.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -77.48 3.48 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.7 mt-30 -100.01 10.89 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 33.7 m-85 -139.08 46.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.3 p-10 -92.05 10.85 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.45 100.86 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.4 mp -123.55 117.56 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.652 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 22.6 m-30 -126.51 139.34 53.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 38' ' ' TYR . 57.6 t -117.99 170.85 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' N ' ' CG1' ' A' ' 22' ' ' VAL . . . -128.11 138.18 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.541 ' CG2' ' HB2' ' A' ' 85' ' ' GLU . 11.2 mt -151.71 114.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER 69.32 9.98 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.25 14.17 42.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -113.88 124.56 52.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.553 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 77.0 t -75.52 120.43 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.785 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 50.5 m-85 -117.96 145.65 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.652 ' OD1' ' CD1' ' A' ' 21' ' ' TYR . 4.1 m-20 -93.87 137.43 33.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.781 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 19.1 m -134.38 8.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.74 -26.9 10.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.3 p -56.57 -9.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' THR . . . -151.73 45.43 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -50.37 -23.15 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -18.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 12.6 m-85 -107.66 -45.92 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.781 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 1.1 m-85 -89.68 -38.42 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.7 172.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLY . 7.0 t -37.72 133.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.79 81.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.92 179.05 24.16 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -40.13 -51.55 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.768 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.2 m-85 -105.45 60.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -33.22 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.67 -30.82 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 5.3 m-30 -75.55 -33.83 60.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' ASN . . . -50.07 126.31 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 62.1 32.7 83.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.5 mtmm -158.84 153.42 24.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.602 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 49.2 t0 -88.16 83.75 6.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -78.39 54.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.477 ' CB ' HD22 ' A' ' 81' ' ' LEU . 2.6 m -74.64 -49.02 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.2 mtm180 -64.69 -45.15 87.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 60' ' ' SER . . . -59.71 -31.92 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 12.0 mt -71.27 -46.25 61.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.423 ' O ' ' CG2' ' A' ' 80' ' ' THR . . . -55.24 -77.97 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.1 -17.04 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 mtp 71.99 38.18 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -108.6 144.57 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 46' ' ' MET . 12.8 mtmt -91.12 19.77 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.49 132.26 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -75.48 -19.25 59.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -21.72 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.1 m-20 -66.99 -48.05 69.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.7 124.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.463 ' OG ' ' CD ' ' A' ' 54' ' ' ARG . 52.6 p -144.76 132.13 10.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.602 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.95 7.18 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.572 1.827 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -148.85 108.72 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.676 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.676 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.2 mm-40 -6.81 81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 134.17 -37.16 2.0 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -42.62 112.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 7.8 p -74.09 -170.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.46 -43.39 69.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.0 -51.29 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pm0 -75.16 -42.22 56.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -51.35 -28.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -84.71 -45.83 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 21.5 m -75.03 -46.96 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.19 -53.63 55.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 78' ' ' ILE . 1.6 m-80 -47.76 -59.7 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -35.83 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.563 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -59.07 -47.1 86.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 108.005 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.541 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -58.43 -48.27 81.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.2 m -63.61 -32.91 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 4.9 mtpt -76.67 -44.33 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.2 OUTLIER -71.03 -43.12 68.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.785 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.89 -18.8 62.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -101.07 -13.83 18.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 2.7 mmtt -105.39 -57.17 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.585 ' CE1' ' HA ' ' A' ' 31' ' ' VAL . 13.4 m-85 -87.81 142.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 132.07 15.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.774 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -94.91 107.6 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.508 HG21 ' CE1' ' A' ' 3' ' ' PHE . 19.2 m -81.79 2.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 156.39 177.69 29.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 2.0 ppt_? -113.9 140.04 48.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 3.0 t -49.71 165.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.536 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.2 -76.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.9 mtp -67.12 -34.47 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' A' ' 1' ' ' MET . 46.6 mt-10 54.93 117.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.12 129.88 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 p -81.38 158.98 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.42 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.3 mt-10 -72.91 -47.93 41.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -73.78 -42.66 60.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.06 -31.48 67.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -73.03 -7.01 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 1.2 mt-30 -102.76 14.01 33.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 59.3 m-85 -136.76 60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.1 p30 -112.4 8.55 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 70.08 98.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.6 mp -102.65 124.47 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 21.5 m-85 -128.73 130.1 46.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.61 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 17.7 t -105.98 153.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -117.87 136.16 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.618 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 2.1 mt -151.97 111.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' CE ' ' CD1' ' A' ' 81' ' ' LEU . 2.8 mmmp? 72.99 10.64 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.64 15.81 38.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 1.5 ttm-85 -113.49 131.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 24.5 t -87.96 123.84 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 46.8 m-85 -118.06 149.36 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.83 124.81 39.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.818 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 25.5 m -127.64 4.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.531 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.32 -22.78 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -54.71 -9.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -148.73 49.41 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.2 pttt -49.59 -24.44 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -18.42 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.1 m-85 -107.78 -38.97 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.818 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 4.1 m-85 -95.04 -38.87 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.56 171.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 t -34.24 120.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.82 94.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -155.82 -175.3 26.67 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.675 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -111.81 65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -31.96 68.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -81.98 -32.54 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CD2' ' HB3' ' A' ' 44' ' ' TYR . 4.3 m-30 -72.12 -34.22 68.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.93 123.25 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 50.68 40.58 41.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 4.0 mtmt -161.52 155.21 21.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 38.0 t0 -88.26 111.36 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.669 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -99.74 63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 m -75.17 -55.15 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 4.1 mmm180 -61.61 -46.08 91.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . . . -57.97 -46.73 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.626 ' O ' ' CD1' ' A' ' 84' ' ' TRP . 3.7 mp -59.27 -50.95 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.628 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.17 -83.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -22.37 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.475 ' CG ' HG23 ' A' ' 80' ' ' THR . 11.3 mtp 74.78 36.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.04 -172.15 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.44 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -130.99 39.49 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -75.35 139.89 42.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -77.05 -22.49 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.45 -20.74 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.585 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 m-20 -59.2 -48.97 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 52.7 t -34.31 105.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.425 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -119.23 107.08 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.62 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 144.34 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.487 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 59.3 mt -73.93 55.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 15.0 pt-20 -108.97 54.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.61 -20.37 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.521 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 2.4 mm? -54.15 107.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.61 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 20.9 p -77.58 -179.35 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -65.94 -41.94 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -52.91 -49.92 64.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.755 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pt-20 -79.58 -40.8 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 74' ' ' THR . 1.0 OUTLIER -52.26 -29.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.63 -47.44 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.475 HG23 ' CG ' ' A' ' 59' ' ' MET . 27.5 m -76.76 -47.76 20.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -55.3 -56.5 19.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.468 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 3.1 m120 -50.77 -37.26 41.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -35.57 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.626 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 16.8 m95 -59.88 -43.34 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -63.3 -45.05 93.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.62 -34.14 77.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.9 mttm -73.39 -42.9 61.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CD1' ' A' ' 24' ' ' ILE . 2.1 m-85 -68.91 -43.56 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.49 -19.36 61.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.27 -10.84 31.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -120.64 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 13.2 m-85 -64.13 142.15 98.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.01 138.52 23.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.488 HG22 ' CE1' ' A' ' 29' ' ' PHE . 23.5 t -93.26 109.83 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -88.66 -8.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.27 -175.18 41.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -123.98 141.13 52.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.466 ' O ' ' HD2' ' A' ' 97' ' ' ARG . 31.5 t -59.33 120.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -103.75 -58.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mtt -69.92 -34.47 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 8.3 mt-10 56.39 112.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -108.26 128.54 54.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 p -80.39 159.63 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.11 -29.3 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.4 -46.97 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.735 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -73.65 -33.15 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 10.5 tp -77.91 -24.35 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 5.6 m -80.08 -0.89 37.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.562 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.3 pt20 -116.37 20.48 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 23.5 m-85 -136.81 52.09 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.9 p30 -109.92 12.18 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.29 104.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.656 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.3 mp -104.76 114.41 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 21.1 m-30 -130.69 134.92 47.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' CE1' ' A' ' 38' ' ' TYR . 13.6 t -113.75 167.75 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . . . -124.8 141.47 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.585 HD13 ' CD2' ' A' ' 88' ' ' PHE . 43.3 mt -152.48 113.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 0.7 OUTLIER 68.13 14.3 9.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.34 12.0 55.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.487 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 2.5 ttm-85 -112.02 132.32 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 10.9 t -84.77 120.84 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.646 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 60.5 m-85 -117.49 141.82 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 4.2 m-20 -89.46 134.18 34.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.765 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -132.23 9.16 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.69 -26.31 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -9.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.94 46.18 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 13.2 pttt -50.11 -24.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -18.14 31.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 69.5 m-85 -107.21 -44.1 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.825 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -91.94 -39.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.46 173.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -38.53 128.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.046 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' OG ' ' A' ' 45' ' ' SER . . . 43.73 87.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -154.77 -179.25 29.85 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -40.12 -52.07 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.825 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.1 m-85 -105.95 61.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.403 ' OG ' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -74.1 -31.34 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -82.69 -31.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 5.7 m-30 -77.13 -34.77 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -43.46 126.35 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.36 36.47 46.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 5.8 mtpt -158.7 149.35 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.579 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 13.8 t0 -88.01 116.74 26.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB3' ' CD1' ' A' ' 47' ' ' PHE . . . -106.55 64.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.467 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 69.3 m -74.9 -54.95 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.79 -41.68 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 60' ' ' SER . . . -58.82 -43.14 90.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.632 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 5.2 mp -63.53 -47.7 80.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.564 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -51.76 -77.83 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.2 OUTLIER -61.47 -19.27 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.1 mtt 75.77 39.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -114.97 165.64 12.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CE ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -107.94 13.62 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.406 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 4.9 t-20 -50.67 137.24 20.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -68.64 -17.26 64.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -89.4 -21.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.491 ' HB3' ' N ' ' A' ' 55' ' ' ALA . 1.7 m-20 -72.16 -26.46 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 69.8 t -66.01 80.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 27.6 p -113.57 117.43 44.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.579 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.03 9.0 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 142.29 21.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 73' ' ' LEU . 6.8 mt -70.63 53.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.6 51.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.31 0.82 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.529 ' CD1' ' HG2' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -50.22 109.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.535 ' OG1' ' CD ' ' A' ' 77' ' ' GLU . 16.4 p -72.97 -169.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.464 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.64 -44.34 67.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.59 -50.45 60.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.794 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pm0 -74.79 -44.36 49.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.28 -29.84 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -84.92 -46.93 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 20.7 m -74.67 -47.6 30.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.794 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.11 -56.54 20.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 3.4 m-20 -51.18 -34.58 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -34.57 59.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.632 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 11.8 m95 -60.38 -31.08 70.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -66.21 -49.61 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.578 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -60.68 -31.73 70.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.3 mtpt -75.14 -40.62 59.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -81.24 -44.61 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.646 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 5.6 tp10 -66.8 -33.77 76.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -96.14 34.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 90' ' ' ALA . 35.8 mttm -157.65 -56.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 14.0 m-85 -86.98 142.25 33.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 135.04 18.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG21 ' CE1' ' A' ' 29' ' ' PHE . 66.5 t -90.52 109.36 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.503 ' CG1' ' OD1' ' A' ' 30' ' ' ASP . 14.8 m -88.07 -13.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 173.06 -176.96 45.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.491 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -124.4 136.98 54.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.496 ' CG2' HG21 ' A' ' 28' ' ' VAL . 53.4 t -58.21 131.13 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.31 -50.19 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . 0.46 ' CG ' ' HA2' ' A' ' 96' ' ' GLY . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.5 mmm -63.63 -35.73 81.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 3.3 mt-10 54.87 110.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.542 ' CE1' ' CG2' ' A' ' 95' ' ' VAL . 48.0 m-85 -109.26 129.96 55.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 36.6 p -84.18 162.76 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -54.07 -28.24 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 14.7 mp0 -71.28 -47.88 54.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.741 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -42.28 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.415 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 5.3 tp -66.46 -24.44 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 4.1 m -79.0 -6.46 56.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 10.2 pt20 -117.82 28.86 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 25.3 m-85 -145.37 55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.514 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 10.9 p30 -113.21 16.63 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.64 98.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.4 mp -97.96 117.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 17.9 m-85 -130.14 129.7 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.628 HG23 ' CE1' ' A' ' 38' ' ' TYR . 20.2 t -106.53 174.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -133.89 143.64 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HD3' ' A' ' 25' ' ' LYS . 3.3 mt -148.1 112.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 1.1 mtpp 59.94 17.58 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.42 16.16 35.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.483 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -112.01 126.63 55.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 95.9 t -83.57 121.54 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.486 ' HE1' ' CB ' ' A' ' 89' ' ' GLU . 41.2 m-85 -117.49 153.11 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.25 127.33 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.775 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 8.0 m -129.95 5.21 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.54 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.55 -25.2 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -56.5 -8.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.83 46.51 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -50.3 -24.01 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -18.67 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 43' ' ' ASP . 12.5 m-85 -108.21 -44.17 4.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.787 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -90.49 -39.88 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.83 176.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.5 p -37.51 133.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 36.2 87.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -153.17 178.0 30.48 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.82 -53.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.787 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.2 m-85 -103.28 59.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.55 -31.91 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.576 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.21 -26.74 33.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.711 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.8 m-30 -82.38 -35.02 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -46.55 127.28 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 55.77 32.85 59.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 6.5 mtpt -156.8 152.47 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 55.8 t0 -88.22 92.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.711 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -85.0 51.1 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 81' ' ' LEU . 11.4 p -75.35 -47.97 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CD ' ' HB2' ' A' ' 67' ' ' SER . 8.3 mtm180 -67.04 -48.84 67.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.61 -31.58 69.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.587 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 10.2 mt -73.7 -42.18 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -60.27 -77.67 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -58.51 -22.16 54.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.498 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 1.3 mtt 67.97 53.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -109.2 -15.68 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 60' ' ' SER . 1.3 pttt 52.89 20.73 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.66 139.77 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.441 ' O ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.25 -20.48 63.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.57 -20.62 22.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 16.6 m-20 -73.14 -46.86 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.546 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -49.01 116.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.459 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -132.99 129.73 21.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.639 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.03 6.08 3.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 126.48 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.429 ' C ' HD11 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -86.85 50.6 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 16.6 pt-20 -88.71 51.27 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 165.67 -25.55 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.532 ' CD1' ' OE1' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -35.19 117.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.522 ' CG2' ' HG2' ' A' ' 77' ' ' GLU . 4.9 t -89.43 -179.98 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.23 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 1.3 ptpt -51.15 -51.53 52.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.77 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt-20 -80.02 -41.78 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -52.67 -47.27 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -49.88 -53.56 25.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.584 ' O ' ' N ' ' A' ' 84' ' ' TRP . 26.0 m -79.51 -46.68 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -56.7 -59.07 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.0 t-20 -51.83 -51.79 54.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.89 -32.8 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -58.72 -38.23 77.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.77 -45.11 95.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -65.97 -34.65 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -73.37 -42.67 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.5 OUTLIER -72.9 -42.95 63.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' CB ' ' HE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.02 -19.55 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.27 -16.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -65.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 12.2 m-85 -73.02 137.95 79.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.0 134.61 18.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 29' ' ' PHE . 21.5 t -85.7 108.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.542 ' CG2' ' CE1' ' A' ' 3' ' ' PHE . 32.5 m -85.54 -5.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 0' ' ' PRO . . . 151.93 -173.76 31.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -112.72 144.85 41.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' GLY . 3.2 t -61.47 112.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 11.1 m -107.91 103.89 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 2' ' ' GLU . 59.1 mmm -73.82 -34.57 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.5 mp0 53.9 109.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 94.4 m-85 -107.86 128.53 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.4 p -78.99 161.83 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.81 -33.63 56.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.11 -47.36 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.765 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -73.58 -33.83 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 1.2 tp -77.42 -24.89 50.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 11.1 t -79.41 -1.11 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.2 pt20 -116.84 29.15 8.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.765 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.5 m-85 -145.79 58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 2.0 p30 -109.32 2.89 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 78.9 95.71 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.415 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 HD13 ' CB ' ' A' ' 35' ' ' LYS . 2.1 mp -100.9 122.39 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.412 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 19.1 m-30 -128.79 135.64 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.767 HG23 ' CE1' ' A' ' 38' ' ' TYR . 16.7 t -113.72 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -114.53 134.37 55.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 56' ' ' LEU . 7.1 mt -146.16 110.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 4.5 mtpp 70.41 12.93 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.03 17.11 33.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -115.06 129.98 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 25.0 t -84.93 122.57 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' HG22 ' A' ' 94' ' ' VAL . 44.0 m-85 -116.33 151.67 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.647 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.51 124.13 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.734 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 10.3 m -126.03 7.34 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.576 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -52.81 -25.63 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -54.49 -9.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.4 46.13 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -49.73 -23.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -17.91 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.3 m-85 -108.65 -42.62 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -93.09 -38.62 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.53 174.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' GLY . 28.9 t -37.87 129.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.15 83.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.64 -179.93 23.13 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -45.18 -50.45 11.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.8 m-85 -100.08 57.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -72.38 -32.1 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.99 -31.25 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.706 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 10.3 m-30 -77.14 -33.6 56.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.53 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.0 122.78 10.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.63 33.75 88.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 17.8 mttt -163.82 150.17 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.642 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 41.8 t0 -86.78 104.6 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.706 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -91.96 56.06 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.477 ' CB ' ' CD1' ' A' ' 81' ' ' LEU . 4.3 m -75.39 -56.87 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.543 ' NH1' ' CB ' ' A' ' 67' ' ' SER . 1.8 mtm-85 -64.78 -42.29 95.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.609 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 15.0 mt -73.68 -47.78 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -57.5 -69.95 1.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -62.92 -21.33 65.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 3.0 mtt 67.16 48.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.45 -28.47 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.8 mttt 61.83 28.33 17.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 64' ' ' GLU . 2.6 t-20 -87.28 133.31 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HA ' HG13 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -63.36 -17.39 62.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.0 -23.77 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 14.6 m-20 -76.23 -39.22 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -45.99 118.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.543 ' CB ' ' NH1' ' A' ' 54' ' ' ARG . 76.7 p -128.34 124.61 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.642 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 5.95 3.71 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 143.59 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.32 49.64 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.1 pt-20 -91.91 48.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 163.96 -23.24 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 81' ' ' LEU . 1.7 mm? -36.43 99.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.524 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 21.7 p -66.91 -172.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.557 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.98 -43.02 72.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 9.3 ptpt -52.57 -51.18 61.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.788 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pm0 -75.76 -39.59 56.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.557 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -52.23 -28.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -91.44 -42.25 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 24.0 m -74.85 -42.66 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.788 ' N ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tp -61.62 -51.33 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -46.91 -60.03 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 1.2 m95 -59.24 -43.34 92.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.51 -50.59 70.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.589 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.7 m -58.99 -30.83 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 9.8 mttm -75.35 -42.31 54.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CZ ' ' HE2' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.7 -42.75 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.587 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.99 -35.7 78.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -91.37 31.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 12.8 mttt -153.22 -52.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.647 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 15.3 m-85 -91.32 141.37 26.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.96 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.586 HG22 ' CD1' ' A' ' 29' ' ' PHE . 64.3 t -90.3 109.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.2 m -90.42 -12.01 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.96 -179.05 43.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -124.72 131.8 53.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' GLY . 36.0 t -50.56 150.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -58.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.3 mtt -65.49 -35.21 80.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 1' ' ' MET . 2.1 mt-10 58.44 119.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 24.3 m-85 -110.34 130.02 55.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p -79.33 154.69 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.68 -31.71 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.17 -46.34 56.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -73.39 -38.27 65.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.575 ' CD2' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -60.77 -43.51 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.463 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 9.1 t -57.55 -14.06 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 4.7 mt-30 -87.01 16.34 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 41.7 m-85 -147.19 56.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.497 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 2.0 p30 -120.81 21.16 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.32 83.41 0.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.416 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.4 mp -116.45 125.07 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.488 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 23.1 m-30 -129.27 136.69 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.648 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 41.4 t -114.95 149.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 51' ' ' ASP . . . -109.52 136.04 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.613 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 4.4 mt -150.1 112.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 11.1 mmmm 71.52 11.47 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 97.66 12.57 46.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 5.2 ttm180 -112.71 129.61 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 21' ' ' TYR . 75.2 t -87.56 123.03 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 51.9 m-85 -115.66 156.9 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.686 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.58 128.07 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.785 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 16.3 m -131.3 7.71 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.57 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.44 -25.49 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -9.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -150.06 47.85 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -48.39 -24.04 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -61.82 -17.2 55.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 25.3 m-85 -108.12 -43.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.813 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 2.7 m-85 -97.6 -36.29 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -56.77 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 p -58.66 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 40' ' ' SER . . . -64.66 66.15 0.07 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.19 -135.31 4.97 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -105.67 -25.55 12.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.813 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -111.49 37.6 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 p -58.8 -31.88 68.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.607 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.23 -30.3 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 4.8 m-30 -80.01 -32.88 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -43.04 115.35 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . 61.95 37.79 94.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' PHE . 10.8 mtpt -153.88 144.94 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.691 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 66.1 t0 -77.23 79.44 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . -75.69 58.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.415 ' C ' HD12 ' A' ' 73' ' ' LEU . 3.7 m -73.05 -54.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.535 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 7.2 mtm180 -61.81 -47.1 86.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . -59.73 -35.6 74.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.632 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 11.3 mt -71.61 -45.86 60.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -58.66 -78.8 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.09 -18.74 10.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 10.7 mtp 75.57 29.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.12 163.27 12.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.8 mtpm? -110.56 38.29 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -81.63 130.37 35.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -72.26 -20.3 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.48 -22.02 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' NE ' ' A' ' 54' ' ' ARG . 2.6 m-20 -64.95 -48.91 72.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -48.82 118.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 124.34 23.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.691 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 4.74 4.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.7 145.06 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' ' HE3' ' A' ' 25' ' ' LYS . 50.2 mt -77.28 51.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.87 51.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' THR . . . 163.94 -26.17 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.535 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 4.1 mm? -50.73 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.8 p -75.12 -177.48 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -66.06 -43.3 87.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 5.4 ptpt -52.6 -52.37 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.768 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -75.27 -40.66 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -54.05 -47.21 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 3.4 m-20 -50.4 -52.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.581 HG21 ' CD1' ' A' ' 84' ' ' TRP . 21.7 m -79.57 -46.55 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -57.42 -57.2 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.3 t-20 -52.8 -39.27 62.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 1.7 m-20 -75.62 -29.42 59.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.632 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 2.6 m95 -60.17 -42.47 95.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -60.9 -45.74 93.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -65.45 -35.17 80.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -73.87 -43.06 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.613 ' CD2' ' CD1' ' A' ' 24' ' ' ILE . 1.8 m-85 -71.66 -42.76 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.88 -19.7 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.39 -14.43 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -114.84 -70.39 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.686 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 10.0 m-85 -67.93 142.13 95.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HG2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -74.99 137.6 21.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.42 108.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG2' HG12 ' A' ' 28' ' ' VAL . 27.5 m -85.78 -9.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 159.72 -179.98 34.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.684 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -117.24 134.29 54.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 7.0 t -46.6 163.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -149.48 -88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.041 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.9 mtm -69.23 -36.33 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 1' ' ' MET . 12.9 mt-10 59.45 122.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 95' ' ' VAL . 59.4 m-85 -109.74 128.9 55.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.1 p -78.24 155.44 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -52.14 -27.19 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.59 -48.05 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.715 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.77 -37.61 64.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 1.4 tp -72.55 -26.01 61.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 26.9 p -76.86 -5.25 47.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 11.7 pt20 -117.07 16.46 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.725 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 20.4 m-85 -131.21 64.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.7 p30 -123.92 13.15 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.29 98.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.725 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.051 -0.404 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -107.17 110.41 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.424 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 17.5 m-85 -129.79 136.01 49.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.691 HG12 ' CZ ' ' A' ' 38' ' ' TYR . 1.8 m -116.06 149.22 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.49 150.99 26.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.42 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 3.6 mt -154.84 109.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CG ' HD12 ' A' ' 81' ' ' LEU . 2.5 mmmp? 65.12 18.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.8 13.66 49.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 ttm-85 -112.9 129.35 56.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 96' ' ' GLY . 99.4 t -87.17 121.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 27' ' ' ARG . 39.4 m-85 -114.14 142.83 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.639 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -88.75 123.76 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.737 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 10.3 m -125.51 1.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.526 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -52.04 -25.37 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.96 -10.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.76 49.32 0.49 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.4 ptmt -49.14 -23.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -18.28 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 43' ' ' ASP . 87.0 m-85 -108.68 -43.58 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.851 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -92.07 -39.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.99 175.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -36.51 130.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.81 87.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -151.02 -179.65 26.94 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -41.24 -51.62 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.851 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.6 m-85 -103.97 58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -72.98 -28.66 62.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -84.3 -32.8 24.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.696 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 5.0 m-30 -75.53 -33.72 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -48.51 126.56 11.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.9 37.33 52.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 7.8 mtpt -161.29 150.53 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.681 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 29.2 t0 -80.81 102.79 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.64 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -91.56 52.5 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.88 -54.82 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.539 ' CD ' ' CD2' ' A' ' 73' ' ' LEU . 4.2 mtm180 -67.44 -40.32 85.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . . . -59.11 -44.39 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.595 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 8.1 mt -71.73 -44.9 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -56.96 -74.15 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -60.92 -27.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.495 ' CE ' HG23 ' A' ' 80' ' ' THR . 0.0 OUTLIER 74.94 38.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -33.51 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.5 mttt 72.12 10.91 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.499 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.1 m120 -72.2 140.25 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HA ' HG13 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -76.04 -19.42 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.03 -18.32 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.577 ' OD1' ' N ' ' A' ' 66' ' ' VAL . 1.3 p30 -81.96 -34.36 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.577 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -48.87 118.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 8.0 p -123.67 122.69 26.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.681 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.07 9.7 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.571 1.827 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.22 138.93 14.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -76.95 52.54 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.11 13.86 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.14 28.74 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.556 ' CD1' ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -90.07 121.49 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.542 ' CG2' ' HG2' ' A' ' 77' ' ' GLU . 4.7 t -86.96 -178.65 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -65.94 -41.46 91.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -50.65 -50.8 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.8 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.3 pt-20 -80.99 -42.81 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.593 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER -47.85 -27.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -86.8 -45.51 10.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 84' ' ' TRP . 95.5 m -77.81 -45.55 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -55.57 -57.19 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 78' ' ' ILE . 3.6 m-80 -53.12 -47.53 68.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.403 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -67.35 -34.43 77.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.595 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 1.6 m95 -63.76 -39.27 93.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -62.06 -44.28 97.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.87 -33.47 76.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 2.1 mttt -73.43 -43.83 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -72.43 -41.74 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.87 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.37 -14.33 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -65.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 14.4 m-85 -74.69 140.4 74.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 134.46 17.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.545 HG22 ' CE1' ' A' ' 29' ' ' PHE . 47.2 t -89.25 107.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 3' ' ' PHE . 33.0 m -85.52 -13.06 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 163.0 -179.44 38.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.518 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.8 OUTLIER -114.45 140.68 48.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 2.5 t -47.58 165.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.527 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.48 -84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 56.0 mmm -64.95 -27.33 68.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.9 mt-10 55.96 111.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -107.89 129.37 55.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.511 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 64.7 p -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.51 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 1.4 mt-10 -71.36 -47.23 57.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.455 ' NE2' ' OH ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -74.88 -41.08 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -36.27 76.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -68.85 -7.63 36.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 13.1 mm100 -85.33 -27.86 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.655 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -102.64 65.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -111.5 11.17 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 66.96 91.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.3 mt -123.61 102.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CE2' HG23 ' A' ' 95' ' ' VAL . 8.5 m-30 -120.14 134.38 55.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 38' ' ' TYR . 9.8 t -114.06 148.68 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' HA ' ' A' ' 51' ' ' ASP . . . -109.18 131.29 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.585 HD13 ' CD2' ' A' ' 88' ' ' PHE . 3.9 mt -137.2 109.56 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 4.3 mtpp 68.56 12.69 8.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 100.06 13.94 35.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.03 127.02 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 26.0 t -81.1 122.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 37.7 m-85 -115.27 159.06 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.567 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -101.81 125.36 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.67 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 5.1 m -127.73 6.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.567 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.52 -25.68 7.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 p -56.32 -9.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.9 45.74 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.6 pttt -49.44 -24.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.39 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 42.5 m-85 -107.72 -43.23 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.837 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -94.67 -39.02 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -48.25 178.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.2 p -37.81 132.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.84 82.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -142.46 177.91 21.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 48.8 m-20 -45.88 -50.95 13.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.837 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.4 m-85 -97.8 56.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 3.1 m -73.07 -33.51 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.537 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.53 -22.82 34.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.704 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.5 m-30 -84.23 -35.6 23.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.17 134.86 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 49.94 32.73 19.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.543 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 35.5 mtpt -157.23 152.19 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.654 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 62.7 t0 -90.43 94.14 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.704 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -84.83 49.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 p -75.48 -47.57 26.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 4.8 mtm180 -63.85 -47.93 78.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -57.97 -41.05 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.611 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 5.0 mp -57.65 -37.01 72.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.96 -81.45 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.3 OUTLIER -56.84 -26.09 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.537 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 68.93 50.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 -17.69 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' MET . 0.4 OUTLIER 60.21 14.4 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 66' ' ' VAL . 3.0 m120 -61.85 139.89 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -72.08 -20.69 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -22.1 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 5.3 m-20 -72.19 -47.9 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.543 ' CG2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -47.62 118.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -136.12 136.33 22.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.654 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 6.97 3.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.58 133.58 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.22 23.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.83 58.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.12 -26.79 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 ' CD2' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.85 111.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.504 ' CG2' ' OE2' ' A' ' 77' ' ' GLU . 27.9 p -78.31 -171.37 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.61 -42.75 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 4.8 ptpt -51.78 -51.93 52.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.798 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.3 pm0 -75.01 -41.14 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -56.47 -49.72 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -51.75 -47.61 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 84' ' ' TRP . 48.9 m -80.56 -49.94 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.39 -58.59 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.2 t-20 -49.12 -35.41 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.18 -32.92 56.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.611 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 21.0 m95 -59.78 -30.68 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -65.07 -52.01 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.2 m -58.69 -30.22 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.592 ' HE2' ' CE3' ' A' ' 84' ' ' TRP . 10.5 mtpt -77.91 -40.85 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.613 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.0 OUTLIER -81.22 -39.39 25.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -70.7 -33.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -89.45 19.84 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 3.8 mttt -146.07 -61.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.613 ' N ' ' O ' ' A' ' 88' ' ' PHE . 18.1 m-85 -86.87 128.45 56.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.98 24.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.8 OUTLIER -93.14 109.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.607 HG23 ' CE2' ' A' ' 21' ' ' TYR . 32.3 m -89.53 2.91 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.47 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 169.49 173.44 37.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.672 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.91 127.32 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' GLY . 14.0 t -44.81 146.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -151.59 -52.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.511 ' HA ' ' CB ' ' A' ' 4' ' ' THR . 48.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmm -62.91 -38.25 90.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.2 mt-10 57.51 115.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 46.5 m-85 -109.32 130.64 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.7 p -76.41 154.77 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.44 -30.01 38.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.7 mt-10 -72.02 -46.12 58.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -73.2 -42.33 62.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -58.43 -33.47 69.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -70.55 -7.13 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 2.8 mt-30 -99.21 6.59 46.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 71.6 m-85 -131.46 57.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.487 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.2 p-10 -107.11 11.36 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.59 95.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.0 mp -100.62 123.72 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 20.7 m-30 -129.04 129.4 45.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 10.9 t -109.61 151.99 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 98' ' ' VAL . . . -109.38 131.96 54.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.42 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -136.16 110.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 1.7 mtpm? 63.7 15.36 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.57 16.69 28.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.672 ' CD ' ' CZ ' ' A' ' 29' ' ' PHE . 14.2 ttm180 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 41.1 t -82.0 120.88 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.672 ' CZ ' ' CD ' ' A' ' 27' ' ' ARG . 31.8 m-85 -112.93 167.76 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -111.56 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.748 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 6.2 m -128.47 6.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.524 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.07 -23.88 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -54.71 -10.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.52 49.45 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -49.57 -27.47 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.547 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -59.39 -15.17 15.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CA ' ' HB2' ' A' ' 43' ' ' ASP . 13.7 m-85 -108.9 -43.2 4.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.903 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -96.0 -40.37 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -59.07 -104.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.41 74.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.547 ' HA3' ' O ' ' A' ' 36' ' ' SER . . . -148.93 -44.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.619 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . 129.12 131.87 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.626 ' HB2' ' CA ' ' A' ' 37' ' ' PHE . 1.3 m-20 145.07 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.903 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 8.2 m-85 -147.19 20.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -28.64 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.947 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.08 -26.02 34.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.673 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 11.7 m-30 -87.49 -34.63 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 127.97 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 58.24 30.99 65.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.8 mtpt -158.99 151.07 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.681 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 46.6 t0 -85.82 109.09 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.673 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -96.85 52.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -53.43 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -67.92 -45.01 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.72 -34.78 73.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 15.4 mt -72.17 -47.08 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -60.33 -68.94 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 9.8 mttm -60.48 -26.59 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtp 67.67 48.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -22.55 12.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 60.38 20.14 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' OD1' ' CG ' ' A' ' 64' ' ' GLU . 24.5 t-20 -70.18 129.29 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -57.5 -18.87 21.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.31 -22.03 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 7.5 m-20 -75.75 -17.94 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -71.03 92.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 63.5 p -115.23 127.95 26.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.681 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 6.0 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.74 122.42 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.455 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -78.48 54.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.57 14.59 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.51 24.2 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' HG ' ' CB ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -80.56 102.62 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 9.0 t -70.82 -170.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 1.3 mt-10 -69.44 -42.25 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.91 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.797 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.9 pm0 -75.28 -44.09 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.21 -29.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -86.19 -46.68 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' TRP . 22.1 m -75.89 -46.85 27.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.27 -56.02 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 3.8 m-20 -48.6 -54.72 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.486 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.83 -40.76 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 4.3 tt0 -60.99 -49.37 77.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 m -59.98 -32.96 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.1 mttm -76.48 -39.1 54.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -77.95 -40.11 40.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.91 -30.96 64.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -84.0 8.77 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -136.76 -62.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.606 ' N ' ' O ' ' A' ' 88' ' ' PHE . 22.3 m-85 -84.88 127.95 62.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 144.46 30.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -97.62 111.28 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.6 10.16 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 160.74 171.05 26.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -119.83 127.05 52.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.488 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 9.5 t -46.22 126.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -89.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . 0.543 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 47.3 mtp -72.31 -33.33 67.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.8 mt-10 52.49 105.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 65.4 m-85 -108.2 131.22 54.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -75.1 155.1 37.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.53 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 31.6 mt-10 -71.5 -46.6 59.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.593 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 58.2 mm-40 -72.95 -37.15 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 1.1 tp -65.78 -30.02 70.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -76.69 4.14 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 10.5 mt-30 -99.51 13.71 32.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 33.7 m-85 -139.33 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.43 ' HA ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -89.77 16.39 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.11 103.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.9 mp -123.89 118.13 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 22.1 m-30 -124.7 138.2 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.715 HG21 ' CE1' ' A' ' 38' ' ' TYR . 4.1 t -116.84 149.89 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . . . -108.26 132.3 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.581 HD13 ' CD2' ' A' ' 88' ' ' PHE . 4.8 mt -142.16 112.24 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' CE ' HD22 ' A' ' 70' ' ' LEU . 10.3 mmmm 67.11 13.4 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.13 33.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -116.09 128.49 55.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.567 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 39.9 t -82.26 121.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 52.3 m-85 -116.79 146.27 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 1.9 m-20 -92.73 131.05 38.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.743 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 13.1 m -132.44 8.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.438 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -52.01 -24.41 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.448 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -56.6 -9.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.32 46.52 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -50.1 -23.46 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.88 -18.26 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 11.3 m-85 -108.18 -45.12 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.823 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -91.07 -37.57 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -43.27 169.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.9 t -36.08 126.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.8 87.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.84 -177.34 26.34 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -40.09 -50.72 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.823 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.9 m-85 -105.92 60.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -74.07 -32.56 63.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.95 -29.61 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 8.9 m-30 -78.36 -34.25 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.13 131.25 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 46.93 37.09 9.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 3.2 mtpm? -158.54 149.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.764 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.737 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 13.2 t0 -88.1 119.9 28.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.97 60.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 1.2 m -74.03 -55.9 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -69.08 -40.58 78.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 60' ' ' SER . . . -60.41 -41.37 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 34.7 mt -70.02 -49.36 52.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.516 ' O ' ' CG2' ' A' ' 80' ' ' THR . . . -54.93 -75.16 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -21.03 56.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.423 ' HE3' ' CG2' ' A' ' 80' ' ' THR . 4.8 mtp 74.99 45.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.538 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -124.08 143.71 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -90.69 20.88 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . 2.8 m120 -57.28 148.09 23.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.18 -24.14 51.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.67 -20.96 23.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 2.7 m-20 -68.88 -17.37 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 21.8 t -80.95 98.73 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -120.9 125.16 27.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.737 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -74.98 6.23 3.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.511 1.796 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.12 140.14 22.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -73.69 54.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.5 pt-20 -98.32 67.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 74' ' ' THR . . . 142.48 -8.99 2.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 1.9 mm? -57.49 108.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 1.4 p -78.79 -169.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.489 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.15 -43.07 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.06 -51.24 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -76.72 -44.99 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.53 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.83 -30.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -83.69 -44.46 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 19.9 m -75.89 -47.13 26.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -58.44 -54.9 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -45.79 -52.36 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -63.72 -38.58 91.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -59.31 -45.08 92.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 6.7 tt0 -61.43 -49.2 77.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.7 m -60.22 -32.54 71.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 12.1 mttm -76.06 -39.75 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER -78.56 -40.5 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.577 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.74 -30.08 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -87.81 0.84 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -126.24 -68.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.599 ' CG ' HG12 ' A' ' 31' ' ' VAL . 14.2 m-85 -76.47 133.1 71.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.05 137.32 21.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -94.01 108.57 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.534 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 13.2 m -86.0 3.35 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 165.23 172.78 33.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.567 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -121.56 129.75 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 26' ' ' GLY . 55.9 t -50.69 149.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 -51.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.618 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -90.1 34.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.4 mt-10 -17.86 121.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 1' ' ' MET . 29.4 m-85 -108.24 130.8 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.6 p -81.8 152.0 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.11 -28.81 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.26 -47.13 58.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.1 mp0 -74.15 -41.49 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.568 ' CD2' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.429 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 43.4 t -58.25 -13.19 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 7.4 mm100 -77.5 -13.48 59.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 14.8 m-85 -128.95 68.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.413 ' O ' ' CG ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -119.74 21.78 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.58 86.66 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.4 mp -123.74 129.8 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 23.4 m-30 -127.38 138.79 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.728 HG21 ' CE1' ' A' ' 38' ' ' TYR . 6.2 t -118.25 147.44 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.66 137.58 45.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.588 HD12 ' CD2' ' A' ' 88' ' ' PHE . 17.8 mt -147.62 110.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 85' ' ' GLU . 1.1 mtpm? 67.79 13.07 9.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.41 15.51 32.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 1.2 ttm180 -114.59 131.03 56.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.541 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 85.1 t -88.35 126.99 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CE1' HG23 ' A' ' 94' ' ' VAL . 49.1 m-85 -121.43 151.87 39.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.62 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.34 126.13 42.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.716 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 11.2 m -128.73 5.81 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.573 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.03 -23.63 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 p -55.58 -9.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.5 48.12 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.3 pttt -49.28 -25.03 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -17.53 15.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.607 ' O ' ' N ' ' A' ' 43' ' ' ASP . 74.3 m-85 -109.08 -41.9 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.832 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -96.54 -37.64 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -53.22 -115.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.12 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.057 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 64.19 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.98 -139.8 7.21 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.6 m-20 -94.9 -32.13 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 m-85 -110.84 49.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 p -66.41 -31.64 72.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.532 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.88 -30.07 24.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.9 m-30 -72.65 -36.01 67.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' C ' ' HB2' ' A' ' 12' ' ' ASN . . . -45.3 126.18 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.568 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . 49.74 39.68 31.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 21.1 mtmt -156.86 139.64 15.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.693 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 11.9 t0 -77.04 112.86 14.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 56' ' ' LEU . . . -104.96 58.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.42 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 27.1 p -74.21 -54.03 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' N ' HD11 ' A' ' 73' ' ' LEU . 1.7 mtm180 -67.49 -40.59 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' CA ' ' HB3' ' A' ' 65' ' ' ASP . . . -61.01 -45.19 95.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.642 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 5.1 mp -61.48 -48.83 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.552 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.3 -80.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' A' ' 77' ' ' GLU . 2.4 mttm -56.53 -20.94 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 mtp 74.25 42.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.04 168.84 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -110.5 17.76 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.6 146.3 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.22 -23.58 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -20.5 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 11.6 m-20 -68.54 -26.11 65.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -78.17 90.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 2.3 t -119.09 129.48 25.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.693 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.0 7.94 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -150.77 106.43 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -33.02 -48.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.69 ' C ' ' O ' ' A' ' 70' ' ' LEU . 16.4 mt-10 -0.81 77.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 138.63 -39.08 1.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -40.48 114.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.525 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 29.2 p -77.97 -170.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -69.2 -42.23 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.4 ptpt -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.759 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -75.46 -42.11 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.98 -28.21 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -84.76 -47.31 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 56' ' ' LEU . 24.2 m -75.12 -46.96 31.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.759 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -55.97 -54.67 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.1 m-80 -53.37 -37.82 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -71.39 -34.55 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.642 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 12.7 m95 -61.34 -38.43 86.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -67.53 -47.28 70.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -63.19 -33.7 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.5 mttt -73.72 -39.66 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CD2' HD12 ' A' ' 24' ' ' ILE . 1.1 m-30 -75.8 -42.95 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.9 -19.46 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -90.5 -9.82 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -69.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 11.2 m-85 -67.2 138.89 94.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.01 139.49 24.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.597 HG23 ' CE1' ' A' ' 29' ' ' PHE . 35.3 t -91.84 109.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.9 m -88.13 -6.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.97 -176.94 38.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.617 ' CD ' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -126.96 129.37 48.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' GLY . 37.8 t -45.13 150.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -152.42 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.401 ' N ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 mmm -65.87 -35.36 80.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.3 mt-10 57.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.473 ' CE1' HG22 ' A' ' 95' ' ' VAL . 9.4 m-85 -109.9 129.98 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.2 p -80.89 158.49 25.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -27.11 19.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 2.4 mt-10 -72.82 -47.32 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -73.93 -41.87 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.41 -34.95 71.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 t -69.58 -6.96 34.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 1.2 mt-30 -103.13 16.9 25.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 48.0 m-85 -140.96 56.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.515 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.49 4.32 30.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 76.18 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.2 mp -104.15 121.6 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.593 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 22.6 m-85 -129.62 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.69 HG22 ' CE1' ' A' ' 38' ' ' TYR . 14.2 t -121.21 152.16 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -108.46 136.34 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.494 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -140.39 112.43 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 5.0 mmmt 57.58 19.91 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.59 15.24 38.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.527 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -112.06 128.08 56.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.448 HG22 ' CG2' ' A' ' 98' ' ' VAL . 88.4 t -84.04 123.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m-85 -120.29 153.65 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -104.26 125.63 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.731 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 20.2 m -123.91 11.03 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -52.57 -27.58 17.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -9.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.96 46.12 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 39' ' ' GLY . 2.9 ptmt -51.09 -24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -17.74 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 43' ' ' ASP . 96.8 m-85 -108.42 -43.15 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -92.59 -39.29 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.18 176.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -36.88 133.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.3 80.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -141.68 179.29 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -45.23 -50.15 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.7 m-85 -100.86 59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.2 t -73.87 -32.74 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.15 -28.11 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.5 m-30 -78.54 -36.36 44.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.515 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.9 121.78 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.11 32.8 85.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 12.7 mttt -157.04 152.0 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.666 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 54.3 t0 -86.86 87.74 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.742 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -83.23 51.55 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 p -74.77 -48.05 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CD ' HD21 ' A' ' 73' ' ' LEU . 6.6 mtm180 -68.1 -45.68 73.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.28 -36.88 76.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 8.2 mt -70.76 -40.37 72.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 77' ' ' GLU . . . -59.84 -76.54 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.105 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.6 OUTLIER -61.32 -21.63 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.495 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 68.94 45.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -97.06 -37.28 10.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 47' ' ' PHE . 2.9 mtmm 76.06 12.85 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.85 137.04 57.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' O ' HG11 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -66.65 -21.98 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.1 -20.45 22.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.8 m-20 -69.58 -46.01 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.569 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -49.97 118.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' NE ' ' A' ' 54' ' ' ARG . 9.7 p -130.27 126.29 22.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.666 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 5.66 3.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.43 155.45 44.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.87 50.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.57 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.85 -27.46 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.723 ' HB3' ' OE2' ' A' ' 77' ' ' GLU . 3.4 mm? -45.05 101.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.716 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 30.4 p -82.6 -174.91 5.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.525 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -67.63 -45.16 76.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 3.6 ptpt -52.04 -48.46 64.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.732 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pp20? -75.38 -40.26 58.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -50.56 -25.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -86.13 -43.91 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 17.9 m -79.23 -47.4 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -56.54 -55.66 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.9 m-80 -47.76 -56.36 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -34.06 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.87 -37.33 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.007 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.53 -44.29 96.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -63.58 -32.79 74.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.573 ' HD3' ' CE3' ' A' ' 84' ' ' TRP . 6.2 mtpt -73.57 -43.13 60.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' TYR . 2.2 m-85 -77.21 -36.95 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 5.9 mm-40 -72.53 -30.58 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -97.5 23.9 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 21.8 mttm -150.71 -67.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.579 ' CE2' HG11 ' A' ' 31' ' ' VAL . 16.4 m-85 -79.79 133.66 58.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 145.46 31.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.425 HG21 ' CE1' ' A' ' 29' ' ' PHE . 34.6 t -91.9 108.51 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.509 HG23 ' CD1' ' A' ' 21' ' ' TYR . 2.5 m -85.23 -3.46 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 155.48 -174.65 33.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -122.11 135.67 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.484 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 22.3 t -56.81 128.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -55.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' GLU . 12.3 mtt -74.32 -33.63 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.436 ' HG2' ' NE ' ' A' ' 97' ' ' ARG . 1.4 mp0 54.96 109.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 25.6 m-85 -108.32 128.48 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 p -79.68 155.26 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.68 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.5 -46.04 56.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.548 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.0 tm0? -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.572 ' CD2' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -58.35 -43.0 88.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 76.8 p -58.17 -14.91 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 8.0 mm100 -70.6 -12.51 61.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 21.5 m-85 -132.58 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 1.7 p-10 -93.39 22.96 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.96 105.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.605 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 4.8 mt -125.19 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 23.0 m-30 -127.76 134.76 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.593 HG21 ' CE1' ' A' ' 38' ' ' TYR . 15.4 t -113.33 150.1 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' ASP . . . -108.27 132.22 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.563 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 82.9 mt -147.2 115.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 0.7 OUTLIER 68.51 12.81 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.65 13.58 50.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.4 ttm-85 -114.33 133.75 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.509 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 54.0 t -87.73 121.6 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' HG21 ' A' ' 94' ' ' VAL . 57.4 m-85 -115.37 151.16 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.664 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.24 127.77 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.816 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 32.6 m -129.45 5.52 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.547 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.44 -22.47 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.2 p -53.94 -9.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -149.23 53.19 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -49.84 -24.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -16.34 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.627 ' O ' ' N ' ' A' ' 43' ' ' ASP . 38.3 m-85 -107.56 -32.39 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.816 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 5.3 m-85 -106.38 -40.1 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.37 172.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 t -33.3 136.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 38.26 54.27 2.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -106.14 168.3 14.86 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.2 m-20 -39.55 -56.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.637 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 4.0 m-85 -92.21 37.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLY . 62.5 p -52.04 -23.73 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -85.35 -32.14 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.637 ' CD2' ' HB3' ' A' ' 44' ' ' TYR . 6.8 m-30 -78.39 -34.97 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.1 113.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . 60.08 38.7 94.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 1.5 mtpm? -156.31 143.02 18.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.607 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 5.9 t0 -84.07 101.33 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.591 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -93.52 59.57 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 14.9 m -74.08 -53.91 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.62 -36.56 78.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.523 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -68.23 -38.0 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.594 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 25.7 mt -71.29 -46.87 59.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -50.87 -74.15 0.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.7 OUTLIER -64.27 -20.23 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 5.9 mtp 67.35 50.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.89 -32.33 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' ' CE1' ' A' ' 47' ' ' PHE . 0.9 OUTLIER 72.28 4.75 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 64' ' ' GLU . 8.9 t-20 -57.36 136.82 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.48 59.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.513 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -91.13 -22.42 20.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.531 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-20 -81.41 4.36 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.7 t -91.08 96.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 4.2 p -123.74 123.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.607 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.25 109.73 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 71' ' ' GLU . 20.3 mt -37.52 -48.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 41.7 mt-10 -2.06 81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 127.88 -34.05 3.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -49.2 110.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.528 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 7.6 t -80.58 -169.16 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.476 ' N ' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -68.52 -40.83 80.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.01 -52.82 48.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.781 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.5 pm0 -75.48 -43.83 47.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -53.75 -47.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -51.08 -53.86 30.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 84' ' ' TRP . 52.7 m -78.75 -46.82 18.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.781 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -56.67 -57.1 13.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 78' ' ' ILE . 8.5 t-20 -55.68 -50.81 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.455 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 5.9 t0 -63.49 -31.69 72.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.594 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 3.2 m95 -58.98 -41.85 88.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 86' ' ' THR . 0.9 OUTLIER -61.9 -45.31 94.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -64.66 -34.3 77.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' OD1' ' A' ' 83' ' ' ASP . 36.6 mtpt -74.38 -42.47 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD2' ' CD1' ' A' ' 24' ' ' ILE . 1.5 m-85 -73.36 -42.75 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.78 -18.62 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -92.71 -10.65 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -120.13 -71.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.664 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 11.8 m-85 -65.46 141.05 97.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HG2' ' HB3' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.05 138.2 22.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.592 HG21 ' CD1' ' A' ' 29' ' ' PHE . 32.9 t -91.61 110.02 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.54 -9.61 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.9 177.41 38.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -121.71 131.71 54.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' GLY . 51.5 t -49.69 146.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.23 -48.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' GLU . 36.8 mtp -78.38 -28.2 46.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.9 mt-10 49.33 99.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' A' ' 97' ' ' ARG . 80.4 m-85 -107.18 134.19 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 p -80.14 151.69 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 -30.49 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 13.2 mt-10 -66.99 -48.27 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 2.1 mp0 -75.19 -43.32 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -36.62 77.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 t -67.04 -8.59 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 11.8 mm100 -84.89 -27.14 26.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.623 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -105.93 53.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -88.91 13.49 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 65.64 89.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.385 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.488 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.2 mt -124.4 103.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.611 ' CE2' HG23 ' A' ' 95' ' ' VAL . 10.8 m-30 -120.45 139.84 52.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.697 HG23 ' CE1' ' A' ' 38' ' ' TYR . 61.9 t -112.89 165.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' N ' HG13 ' A' ' 22' ' ' VAL . . . -130.62 130.45 43.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.496 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 2.0 mt -142.74 109.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 6.1 mtpp 70.4 13.03 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.489 ' C ' ' HB ' ' A' ' 98' ' ' VAL . . . 97.55 12.73 46.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -108.78 125.92 52.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 17.4 t -81.15 121.98 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.6 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 47.9 m-85 -116.85 153.53 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.632 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -100.09 123.28 44.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.745 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 9.0 m -123.25 5.57 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.562 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.41 -25.31 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -55.43 -9.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.06 49.3 0.52 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.03 -23.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -17.59 26.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' ASP . 60.7 m-85 -108.19 -41.6 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.869 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -96.56 -36.72 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.68 -179.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.0 t -33.71 125.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.64 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -144.01 -175.43 17.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -47.09 -47.25 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.869 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 7.1 m-85 -101.15 57.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -73.06 -32.04 64.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -29.94 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . 15.9 m-30 -77.76 -36.66 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' ASN . . . -47.06 127.91 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 51.81 34.55 37.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 11.3 mttm -157.04 149.61 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.71 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 28.7 t0 -86.48 124.4 32.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -115.71 54.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -75.01 -56.33 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.666 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.1 -34.45 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.536 ' HB3' ' OD2' ' A' ' 65' ' ' ASP . . . -59.88 -46.07 90.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.612 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 3.2 mp -62.69 -44.95 94.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.593 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.33 -76.07 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' CE ' ' HD3' ' A' ' 54' ' ' ARG . 17.5 mttm -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 79.9 mtp 67.63 54.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -109.45 -21.07 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.94 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 54.45 18.75 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.626 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.0 m120 -62.17 155.77 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.65 -21.14 45.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.1 -35.24 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 43.3 p30 -56.71 -24.07 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.626 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 52.8 t -48.02 104.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -116.39 108.9 44.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.71 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.2 2.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 67' ' ' SER . 0.3 OUTLIER -154.17 135.76 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD11 ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -79.24 52.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -101.41 55.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.56 -26.19 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -40.39 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.54 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 27.0 p -77.69 -172.35 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.27 -43.11 78.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.94 -51.29 58.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.775 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pm0 -76.69 -41.65 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.54 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -52.16 -28.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.18 -47.44 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 56' ' ' LEU . 56.7 m -74.42 -46.77 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.775 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -58.33 -56.37 22.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -46.8 -49.04 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -61.41 -38.97 89.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.612 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.0 m95 -61.92 -35.98 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -63.53 -50.69 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.602 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 m -60.56 -30.37 69.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.2 mtpm? -75.72 -40.44 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' CD2' ' HD2' ' A' ' 92' ' ' TYR . 1.2 m-85 -81.25 -42.78 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.6 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.91 -35.49 76.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -91.61 30.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 73.3 mttt -152.3 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.632 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 16.3 m-85 -91.18 133.83 31.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.01 137.07 21.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.3 t -84.08 106.69 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.611 HG23 ' CE2' ' A' ' 21' ' ' TYR . 28.3 m -82.25 -33.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.452 ' C ' ' HB ' ' A' ' 28' ' ' VAL . . . -156.83 -158.89 9.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -136.15 146.99 47.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.489 ' HB ' ' C ' ' A' ' 26' ' ' GLY . 23.5 t -85.26 135.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.38 -88.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -73.93 -34.0 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 59.39 107.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.604 ' CZ ' ' SD ' ' A' ' 1' ' ' MET . 91.3 m-85 -109.35 127.4 54.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.8 p -78.99 163.37 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.73 -30.82 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.85 -47.04 61.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.772 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.7 mt-30 -72.57 -33.49 66.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -77.3 -23.72 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 18.8 t -80.36 -3.89 51.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.0 pt20 -113.14 24.99 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.772 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.3 m-85 -142.08 51.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.8 p-10 -109.35 15.73 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 102.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.9 mp -93.74 117.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.173 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.402 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 16.0 m-30 -129.35 128.57 43.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 38' ' ' TYR . 14.5 t -106.91 177.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' H ' ' CG1' ' A' ' 22' ' ' VAL . . . -138.02 135.33 35.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 88' ' ' PHE . 8.0 mt -147.26 109.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 4.2 mmmt 72.4 14.02 5.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.526 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 95.94 8.67 57.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 3.1 ttm180 -107.39 128.73 54.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.532 ' CG2' ' CG2' ' A' ' 98' ' ' VAL . 10.0 t -84.44 121.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.596 ' CE1' HG21 ' A' ' 94' ' ' VAL . 47.1 m-85 -114.93 161.02 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.628 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -103.88 127.31 51.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.771 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 12.1 m -127.7 4.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -51.79 -23.76 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -54.79 -10.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.45 47.84 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' GLY . 25.7 pttt -49.5 -24.09 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -57.92 -18.7 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' ASP . 24.9 m-85 -109.09 -44.91 3.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -90.39 -38.35 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.933 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -76.73 165.59 53.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLY . 30.1 t 38.56 50.45 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 35.51 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -128.61 -143.1 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -38.38 -44.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.2 m-85 -115.26 53.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 p -69.39 -32.04 70.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.71 -28.94 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.8 m-30 -81.32 -36.22 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 119.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.505 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 59.26 37.34 91.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.537 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 12.2 mtpt -156.22 148.67 23.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.627 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 39.0 t0 -85.97 87.65 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.716 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -81.19 53.92 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 6.0 p -77.36 -47.7 19.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 67' ' ' SER . 6.9 mtp180 -66.34 -44.48 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' MET . . . -59.24 -42.7 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 6.8 mp -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -58.86 -75.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.57 -26.5 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.524 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 13.2 mtp 68.26 47.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -108.73 -15.28 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 60' ' ' SER . 0.6 OUTLIER 52.69 19.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.1 m120 -67.38 140.0 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -68.53 -21.05 64.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.97 -21.55 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 5.7 m-20 -73.05 -46.4 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.537 ' CG2' ' HB3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -52.13 119.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -136.63 135.23 20.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.627 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.26 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.632 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 69.9 mt -26.64 -55.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.19 -156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.68 47.54 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.632 ' CD2' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -59.49 114.83 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.492 ' CG2' ' HG2' ' A' ' 77' ' ' GLU . 6.3 t -74.92 -174.49 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.508 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -67.68 -43.59 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 5.9 ptpt -51.21 -47.95 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.799 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -80.26 -43.09 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -52.33 -29.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -88.94 -44.27 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.434 HG21 ' SD ' ' A' ' 59' ' ' MET . 63.5 m -76.25 -48.55 19.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.799 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -57.68 -59.76 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 2.9 m-20 -50.52 -40.82 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -66.4 -38.53 87.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.583 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.9 m95 -59.33 -38.05 79.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 10.8 tt0 -63.1 -46.35 87.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.535 ' C ' ' OE1' ' A' ' 89' ' ' GLU . 1.5 m -62.33 -25.02 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 1.8 mttm -85.98 -37.68 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.562 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -77.75 -46.63 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.616 ' OE1' ' N ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -69.57 -19.17 63.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.616 ' N ' ' OE1' ' A' ' 89' ' ' GLU . . . -104.49 25.42 10.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -152.11 -46.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 15.8 m-85 -96.76 136.55 21.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.88 24.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.596 HG21 ' CE1' ' A' ' 29' ' ' PHE . 59.0 t -87.68 109.46 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.2 m -88.05 -18.75 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -175.62 -177.01 44.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -127.16 126.45 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.532 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 71.6 t -58.14 150.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 -49.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . 0.555 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.5 Cg_endo -74.99 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 6.4 mtt -73.06 -33.21 65.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.3 mt-10 53.51 107.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.7 m-85 -108.45 130.69 55.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.7 p -74.83 154.0 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -30.74 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -69.45 -47.32 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.534 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.6 -40.88 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -61.72 -29.33 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -77.97 4.58 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.438 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 12.1 mt-30 -100.11 12.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 42.6 m-85 -137.04 41.13 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -84.47 5.66 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 83.45 101.3 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 177.94 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.544 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -65.3 -171.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.09 -45.43 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -104.22 -47.23 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -37.88 122.94 1.01 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.4 Cg_endo -74.94 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.2 mp -123.75 119.08 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.0 m-30 -124.05 132.39 53.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.703 HG21 ' CE1' ' A' ' 38' ' ' TYR . 5.1 t -112.5 149.88 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.72 134.73 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 88' ' ' PHE . 8.3 mt -141.71 110.35 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 70' ' ' LEU . 0.9 OUTLIER 64.99 15.25 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.64 17.22 29.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.537 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 2.5 ttm-85 -116.42 126.58 53.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.496 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 42.3 t -82.58 122.25 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 94' ' ' VAL . 30.5 m-85 -115.16 158.43 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.621 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -104.01 124.88 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.743 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 11.1 m -127.63 6.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.551 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.93 -24.49 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.0 p -56.4 -9.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.49 47.29 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -50.4 -22.83 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.69 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 73.1 m-85 -108.22 -44.12 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -91.97 -38.04 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.83 168.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -35.89 124.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.961 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.05 87.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.5 -176.87 25.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -41.84 -49.9 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.0 m-85 -104.57 59.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -74.72 -31.9 61.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -23.21 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.671 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 13.4 m-30 -84.91 -32.82 22.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.19 123.91 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 60.91 30.43 73.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 8.4 mttt -157.6 149.91 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.719 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 22.2 t0 -87.15 111.24 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.671 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -100.59 52.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p -73.39 -53.43 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 2.4 mtp180 -68.2 -44.61 75.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' CA ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.76 -36.72 77.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.597 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 16.5 mt -70.71 -43.07 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -54.23 -75.22 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -63.44 -21.83 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 2.1 mtp 68.89 50.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -28.89 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 47' ' ' PHE . 13.1 mttt 66.63 19.22 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.52 146.93 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.26 -23.22 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 18.1 m-20 -75.22 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 2.9 t -83.76 89.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 69' ' ' SER . 4.1 t -113.82 131.45 23.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.719 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 10.66 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -150.86 143.2 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -89.43 36.19 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.02 53.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.12 -26.14 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.474 ' CD2' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -41.47 110.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.51 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.5 p -76.93 -171.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.37 -41.36 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 8.7 ptpt -53.02 -52.01 59.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.808 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -74.99 -41.09 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -55.79 -49.2 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.44 -50.01 60.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 84' ' ' TRP . 72.7 m -79.39 -46.84 16.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.808 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -57.9 -56.4 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' ILE . 7.2 t-20 -51.67 -42.93 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -31.73 64.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.597 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.3 m95 -60.13 -32.73 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -62.17 -46.36 89.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -64.54 -36.7 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.5 mttm -66.26 -46.84 75.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.7 m-85 -79.56 -36.85 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 85' ' ' GLU . 7.8 tp10 -69.83 -38.26 76.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -91.59 31.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 39.5 mttt -153.89 -60.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 15.9 m-85 -87.13 138.37 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.94 139.74 24.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 74.8 t -93.28 109.44 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.7 m -89.5 -11.0 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 171.23 177.51 41.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.165 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.84 130.31 52.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' GLY . 39.1 t -50.79 133.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -83.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . 0.55 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.2 Cg_endo -75.06 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' GLU . 54.9 mtp -71.07 -35.41 71.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' MET . 7.5 mt-10 55.36 110.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 26.7 m-85 -108.91 129.79 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -77.83 163.71 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.8 -35.85 61.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.57 -46.05 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.691 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.07 -31.12 64.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 3.3 tp -82.73 -24.23 33.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 81.6 p -87.45 22.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.603 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 5.6 pt20 -133.02 15.9 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.691 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 51.0 m-85 -138.93 60.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 13.5 p30 -113.63 17.76 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.12 47.57 23.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -101.77 -21.7 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -106.67 -159.06 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -104.47 -52.12 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' LYS . 15.2 m -84.16 -47.39 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -37.19 121.73 0.86 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.649 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.99 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.9 mp -112.52 121.5 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.423 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 21.9 m-30 -128.53 129.17 45.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.643 HG22 ' CE1' ' A' ' 38' ' ' TYR . 12.4 t -109.68 155.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -111.67 143.58 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 88' ' ' PHE . 2.9 mt -149.24 111.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' CD ' HD13 ' A' ' 81' ' ' LEU . 0.5 OUTLIER 60.2 17.51 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.04 16.47 32.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -114.41 129.26 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.512 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 55.6 t -86.49 122.12 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 94' ' ' VAL . 41.1 m-85 -116.76 149.67 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.635 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -96.29 126.16 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.8 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 15.4 m -127.38 3.8 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.545 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -49.41 -25.77 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -8.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.01 47.7 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.1 pttt -49.5 -23.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 t -60.36 -17.83 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' O ' ' N ' ' A' ' 43' ' ' ASP . 32.0 m-85 -107.41 -43.76 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.8 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 1.5 m-85 -92.9 -38.08 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.92 177.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLY . 8.1 t -39.31 140.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.5 71.12 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -132.31 175.12 20.03 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 37' ' ' PHE . 4.4 m-20 -43.38 -50.28 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m-85 -102.47 61.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t -74.55 -33.05 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.1 -30.32 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 4.5 m-30 -77.78 -32.78 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.41 123.27 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 61.02 33.34 83.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 33.0 mtmt -161.57 152.01 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.657 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 43.7 t0 -88.98 107.47 19.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -100.94 59.98 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -74.95 -54.05 7.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 5.4 mtm180 -61.37 -49.68 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.637 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 17.1 mt -73.14 -42.74 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -59.88 -75.19 0.29 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -61.0 -20.81 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER 67.31 54.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -112.64 -44.09 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 60' ' ' SER . 10.7 mttp 86.83 18.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.465 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.7 m120 -57.5 147.51 26.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.96 -24.43 55.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -89.94 -21.46 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.551 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 2.5 m-20 -65.27 -43.67 90.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 58.5 t -35.64 109.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -121.39 109.62 34.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 7.79 2.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.65 156.31 40.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.94 49.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.06 70.62 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.95 -11.87 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 4.0 mm? -67.46 100.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.534 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.9 p -78.52 -175.46 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.495 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.7 OUTLIER -67.6 -42.02 83.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 2.7 ptpt -53.04 -52.61 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.752 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -75.13 -41.24 58.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -52.8 -47.88 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -48.08 -53.83 15.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.55 HG22 ' CD1' ' A' ' 84' ' ' TRP . 16.8 m -80.35 -46.7 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -56.47 -57.94 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 78' ' ' ILE . 8.5 t-20 -51.53 -43.55 62.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.57 -30.36 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.74 -47.33 86.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.92 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -74.0 -43.97 56.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.9 OUTLIER -71.09 -43.25 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.47 ' CB ' ' HE1' ' A' ' 29' ' ' PHE . 1.4 pp20? -71.79 -20.18 61.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.84 -15.4 34.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.06 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.635 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 12.6 m-85 -69.69 138.78 88.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 135.22 18.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.529 HG23 ' CE1' ' A' ' 29' ' ' PHE . 39.0 t -91.36 109.12 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.68 -14.32 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -177.77 42.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.577 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.75 134.32 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' GLY . 18.7 t -49.39 143.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -90.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -163.58 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.6 mtm -67.08 -31.96 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.6 mt-10 54.33 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 96.2 m-85 -108.84 129.15 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.4 p -77.98 157.48 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.18 -29.4 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -71.84 -47.09 55.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.599 ' NE2' HE22 ' A' ' 10' ' ' GLN . 1.1 mm-40 -73.42 -37.95 65.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.31 -28.67 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -77.77 2.4 17.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.599 HE22 ' NE2' ' A' ' 7' ' ' GLN . 6.5 mt-30 -99.93 2.51 43.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 49.4 m-85 -129.96 58.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER -113.43 11.29 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.67 45.76 6.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.34 -18.64 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.66 -167.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -71.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.0 m -65.41 -48.39 72.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -39.62 122.21 1.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -74.99 -168.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.1 mp -122.11 121.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.3 m-30 -126.28 131.97 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG23 ' CE1' ' A' ' 38' ' ' TYR . 7.7 t -110.01 151.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -112.49 136.4 52.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.599 HD11 ' CD2' ' A' ' 88' ' ' PHE . 54.7 mt -144.81 111.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER 64.23 15.21 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.09 33.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.2 ttm-85 -112.64 129.16 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 95' ' ' VAL . 24.5 t -87.23 123.18 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 40.2 m-85 -119.08 150.34 40.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.63 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.53 127.24 43.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.755 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -130.86 7.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.577 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.08 -24.33 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.4 p -55.66 -8.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -155.29 48.65 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 10.1 pttt -49.88 -24.21 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -57.3 -17.96 14.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.4 m-85 -108.64 -42.87 4.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.847 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -95.78 -38.36 10.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -54.78 -116.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -57.59 -154.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 66.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -89.9 -137.62 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -101.87 -27.41 13.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.847 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.4 m-85 -110.38 44.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.9 74.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.591 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.96 -27.94 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 6.2 m-30 -80.53 -33.25 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.54 133.21 25.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.76 37.05 20.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 17.2 mttp -160.21 153.41 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.612 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 28.3 t0 -90.27 95.86 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.675 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -89.32 62.9 6.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 p -74.46 -56.29 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.549 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 49.6 mtp180 -62.06 -47.27 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 47' ' ' PHE . . . -58.43 -36.46 73.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.606 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 19.1 mt -72.01 -44.55 63.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.52 -78.5 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -18.75 21.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.6 mtp 73.91 38.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.13 -172.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.31 25.03 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.507 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 2.8 m120 -62.56 139.21 58.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.77 -21.93 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.81 -20.86 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 2.0 m-20 -62.17 -47.41 84.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 71.6 t -45.67 113.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.447 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -127.8 112.15 20.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.612 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.02 7.84 2.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -141.39 119.05 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' GLY . 58.0 mt -36.98 -48.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.3 mt-10 -35.7 94.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 133.94 -33.74 2.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.508 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 2.3 mm? -63.0 113.25 2.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.467 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 43.8 p -82.94 -176.62 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -68.38 -40.62 81.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.9 ptpt -53.83 -49.08 69.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.752 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.1 pt-20 -78.67 -41.6 30.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -53.54 -46.92 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 2.2 m-20 -50.52 -50.78 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.549 HG21 ' CD1' ' A' ' 84' ' ' TRP . 19.5 m -81.24 -47.29 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -57.76 -59.62 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.6 t-20 -49.2 -40.33 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.68 -31.4 61.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.606 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 1.5 m95 -59.18 -41.05 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.981 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -60.28 -46.09 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -65.05 -34.87 79.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -74.12 -42.17 60.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.4 m-85 -73.3 -42.53 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -71.96 -20.09 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.23 -10.93 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 -68.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 15.2 m-85 -67.43 138.5 94.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.98 136.93 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 29' ' ' PHE . 21.5 t -91.55 107.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 28' ' ' VAL . 29.5 m -83.43 -11.13 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 162.49 -172.91 38.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.452 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 1.5 ppt_? -120.59 141.32 50.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' GLY . 10.0 t -58.23 127.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -111.25 -88.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLU . 38.7 mtm -64.58 -35.34 80.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 1.3 mt-10 57.14 114.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.8 m-85 -108.95 129.2 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -77.34 158.67 30.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.78 -33.57 49.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.58 -44.97 63.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.03 -42.91 65.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.46 -37.7 76.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -65.75 -10.84 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 9.3 mm100 -74.94 -19.9 59.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CE2' ' HG3' ' A' ' 18' ' ' LYS . 9.5 m-85 -121.43 67.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.27 13.27 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.48 100.14 0.55 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.68 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 3.6 m-20 -76.95 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -96.24 -74.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 -45.48 71.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.609 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -44.41 119.96 3.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.3 Cg_endo -74.99 -164.1 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 HG23 ' CG2' ' A' ' 31' ' ' VAL . 3.5 mp -125.96 124.11 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.539 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.7 m-30 -124.63 130.49 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.608 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 t -108.98 153.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -112.73 136.84 51.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 88' ' ' PHE . 23.9 mt -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' CD ' HD23 ' A' ' 70' ' ' LEU . 11.1 mmmm 66.78 14.87 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.43 14.71 43.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.48 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 4.3 ttm180 -112.73 131.39 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 12.5 t -87.15 122.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CE1' HG21 ' A' ' 94' ' ' VAL . 40.5 m-85 -118.26 144.98 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.654 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -90.25 126.56 35.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.833 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 23.2 m -128.37 4.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.55 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.24 -22.93 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.8 p -54.8 -8.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -151.2 50.06 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLY . 14.6 pttt -49.21 -24.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.2 m-85 -107.91 -42.39 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.833 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 5.0 m-85 -92.88 -37.95 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.68 169.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.1 t -33.94 123.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.93 87.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -148.92 -176.02 21.89 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.38 -51.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.689 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 1.3 m-85 -110.71 63.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -28.04 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.74 -31.04 24.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.703 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.9 m-30 -75.3 -33.19 61.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' ASN . . . -49.37 130.22 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.12 38.15 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.6 OUTLIER -163.09 153.06 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.635 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 61.4 t0 -86.52 116.98 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.703 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -114.7 46.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -72.27 -41.17 67.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' CD ' ' HB3' ' A' ' 67' ' ' SER . 5.2 mtm180 -66.78 -53.71 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 59' ' ' MET . . . -60.83 -34.61 74.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 9.6 mt -61.88 -43.56 98.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.51 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.6 -68.93 1.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -60.54 -25.15 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER 65.69 50.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -113.49 -23.57 9.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.55 12.88 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.5 m120 -50.33 148.58 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -24.74 59.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.36 -20.93 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -67.99 -43.72 78.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 54.7 t -52.45 121.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.485 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 1.5 t -152.97 134.25 8.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.635 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.04 6.99 3.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.609 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -154.93 87.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.609 ' C ' ' O ' ' A' ' 69' ' ' SER . 3.6 pp -22.48 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.529 ' C ' ' O ' ' A' ' 70' ' ' LEU . 9.3 mm-40 26.96 41.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 158.08 39.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.506 ' HG ' ' CB ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -93.07 107.62 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.564 ' OG1' ' CD ' ' A' ' 77' ' ' GLU . 24.8 p -74.15 -173.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.564 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -68.9 -43.16 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -52.97 -51.77 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.75 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pm0 -75.69 -38.63 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -52.62 -30.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -82.45 -51.88 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.597 HG21 ' CD1' ' A' ' 84' ' ' TRP . 32.1 m -69.97 -47.31 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.75 ' N ' ' O ' ' A' ' 77' ' ' GLU . 1.5 tm? -57.12 -54.54 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.4 m-80 -50.45 -59.46 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -58.23 -33.27 69.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.597 ' CD1' HG21 ' A' ' 80' ' ' THR . 0.2 OUTLIER -59.39 -48.67 80.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -62.19 -47.5 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.0 mttm -73.39 -43.68 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.552 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.2 m-85 -70.43 -43.52 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.25 -18.77 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.59 -16.02 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -68.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.654 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 12.1 m-85 -69.6 138.65 88.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.07 138.84 23.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.582 HG21 ' CE1' ' A' ' 29' ' ' PHE . 34.7 t -91.36 109.57 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.409 ' CG2' HG12 ' A' ' 28' ' ' VAL . 22.1 m -88.73 -5.8 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.86 -175.02 40.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.454 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 2.4 ppt_? -126.07 135.86 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' GLY . 54.4 t -58.28 124.84 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -107.93 -53.22 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -65.26 -34.01 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.3 mt-10 58.04 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 67.6 m-85 -109.45 130.23 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.2 p -74.87 155.65 37.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 110.368 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.82 53.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -46.97 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -35.34 66.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -32.42 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -72.42 -0.56 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.438 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.1 mt-30 -95.26 14.83 20.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 28.8 m-85 -137.18 38.59 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -88.97 15.81 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.26 108.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -179.1 -40.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -75.7 -159.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.02 -55.93 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.0 m -84.02 -48.22 10.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 1.6 mmtm -37.21 119.64 0.84 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.99 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.1 mp -123.1 116.2 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 22.1 m-30 -126.94 133.58 50.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.694 HG23 ' CE1' ' A' ' 38' ' ' TYR . 8.4 t -112.88 149.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -108.46 134.25 51.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.599 HD12 ' CD2' ' A' ' 88' ' ' PHE . 12.7 mt -141.17 110.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER 65.23 16.16 10.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.95 14.56 39.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 2.4 ttm-85 -113.55 128.41 56.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 40.7 t -84.92 122.65 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 40.9 m-85 -118.19 153.16 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.62 127.57 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.744 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 11.8 m -128.46 7.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.587 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.15 -25.9 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -8.96 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.58 48.07 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.13 -23.46 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.88 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.0 m-85 -107.94 -44.36 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.835 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -92.37 -38.15 12.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.94 172.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -36.02 127.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 41.42 88.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.23 -178.5 26.98 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -41.24 -51.48 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.835 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -103.11 59.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -33.31 62.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.534 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.12 -23.31 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.1 m-30 -84.8 -33.4 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.16 126.59 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 57.18 34.23 66.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 8.1 mttm -162.17 151.06 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.667 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 25.1 t0 -86.47 111.64 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.693 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -104.66 52.3 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' CB ' HD22 ' A' ' 81' ' ' LEU . 52.2 m -75.44 -46.99 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.542 ' CG ' ' OG ' ' A' ' 67' ' ' SER . 6.8 mtm180 -67.48 -49.32 64.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.42 -34.43 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 19.5 mt -70.99 -41.06 71.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.02 -77.74 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.513 ' CE ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.8 53.26 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -112.31 -18.46 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 60' ' ' SER . 9.1 ptpt 51.27 23.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' OD1' ' HB2' ' A' ' 64' ' ' GLU . 2.6 t-20 -73.25 131.8 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -16.46 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -89.6 -22.13 22.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.1 m-20 -76.65 -37.03 56.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 45.4 t -39.97 124.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.542 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 9.4 p -146.23 121.07 5.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.667 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 8.91 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.08 140.99 20.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -87.37 41.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.11 49.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.82 -24.87 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.505 ' CD1' ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -41.96 117.08 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.453 ' OG1' ' HG2' ' A' ' 77' ' ' GLU . 19.4 p -79.12 -176.76 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.528 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.45 -40.34 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.98 -48.0 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.811 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt-20 -80.08 -42.32 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -52.45 -48.48 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -54.58 -47.02 73.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 84' ' ' TRP . 50.1 m -79.99 -48.28 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.811 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -58.76 -58.16 9.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 9.0 t-20 -51.84 -39.83 59.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -35.07 63.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -59.22 -32.59 70.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.986 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 5.7 tt0 -62.77 -50.67 70.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.1 m -60.6 -33.41 72.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 21.2 mttt -73.81 -40.89 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.599 ' CD2' HD12 ' A' ' 24' ' ' ILE . 1.1 m-85 -79.05 -42.79 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.61 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -68.5 -34.24 75.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -89.32 29.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 15.7 mttt -154.03 -57.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 14.4 m-85 -85.83 138.58 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.97 136.81 20.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.4 t -89.03 110.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.422 ' CG2' HG12 ' A' ' 28' ' ' VAL . 22.1 m -90.64 -9.16 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 167.79 -177.63 42.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.563 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.89 133.62 53.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.526 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 37.3 t -55.58 122.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -104.94 -52.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt -66.57 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.2 mt-10 58.99 116.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.508 ' CE1' HG21 ' A' ' 95' ' ' VAL . 57.5 m-85 -111.53 130.21 55.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.9 p -77.16 154.99 32.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.66 47.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -71.59 -46.78 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -72.96 -38.5 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -29.25 70.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -77.48 3.48 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.7 mt-30 -100.01 10.89 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 33.7 m-85 -139.08 46.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 1.3 p-10 -92.05 10.85 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.45 100.86 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.87 -36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -73.04 -170.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.33 -65.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' LYS . 57.8 m -80.57 -48.27 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -37.43 121.44 0.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 -165.47 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.4 mp -123.55 117.56 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.652 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 22.6 m-30 -126.51 139.34 53.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 38' ' ' TYR . 57.6 t -117.99 170.85 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' N ' ' CG1' ' A' ' 22' ' ' VAL . . . -128.11 138.18 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.541 ' CG2' ' HB2' ' A' ' 85' ' ' GLU . 11.2 mt -151.71 114.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER 69.32 9.98 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.25 14.17 42.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -113.88 124.56 52.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.553 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 77.0 t -75.52 120.43 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.785 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 50.5 m-85 -117.96 145.65 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.652 ' OD1' ' CD1' ' A' ' 21' ' ' TYR . 4.1 m-20 -93.87 137.43 33.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.781 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 19.1 m -134.38 8.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.74 -26.9 10.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.3 p -56.57 -9.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' THR . . . -151.73 45.43 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -50.37 -23.15 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -18.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 12.6 m-85 -107.66 -45.92 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.781 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 1.1 m-85 -89.68 -38.42 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.7 172.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLY . 7.0 t -37.72 133.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.79 81.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.92 179.05 24.16 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -40.13 -51.55 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.768 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.2 m-85 -105.45 60.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -33.22 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.67 -30.82 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 5.3 m-30 -75.55 -33.83 60.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' ASN . . . -50.07 126.31 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 62.1 32.7 83.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.5 mtmm -158.84 153.42 24.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.602 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 49.2 t0 -88.16 83.75 6.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -78.39 54.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.477 ' CB ' HD22 ' A' ' 81' ' ' LEU . 2.6 m -74.64 -49.02 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.2 mtm180 -64.69 -45.15 87.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 60' ' ' SER . . . -59.71 -31.92 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 12.0 mt -71.27 -46.25 61.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' O ' ' CG2' ' A' ' 80' ' ' THR . . . -55.24 -77.97 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.1 -17.04 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 mtp 71.99 38.18 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -108.6 144.57 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 46' ' ' MET . 12.8 mtmt -91.12 19.77 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.49 132.26 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -75.48 -19.25 59.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -21.72 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.1 m-20 -66.99 -48.05 69.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.7 124.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.463 ' OG ' ' CD ' ' A' ' 54' ' ' ARG . 52.6 p -144.76 132.13 10.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.602 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.95 7.18 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.572 1.827 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -148.85 108.72 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.676 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.676 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.2 mm-40 -6.81 81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 134.17 -37.16 2.0 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -42.62 112.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 7.8 p -74.09 -170.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.46 -43.39 69.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.0 -51.29 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pm0 -75.16 -42.22 56.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.517 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -51.35 -28.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -84.71 -45.83 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 21.5 m -75.03 -46.96 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.19 -53.63 55.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 78' ' ' ILE . 1.6 m-80 -47.76 -59.7 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -35.83 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.563 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -59.07 -47.1 86.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 108.005 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.541 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -58.43 -48.27 81.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.2 m -63.61 -32.91 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 4.9 mtpt -76.67 -44.33 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.2 OUTLIER -71.03 -43.12 68.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.785 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.89 -18.8 62.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -101.07 -13.83 18.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 2.7 mmtt -105.39 -57.17 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.585 ' CE1' ' HA ' ' A' ' 31' ' ' VAL . 13.4 m-85 -87.81 142.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 132.07 15.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.774 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -94.91 107.6 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.508 HG21 ' CE1' ' A' ' 3' ' ' PHE . 19.2 m -81.79 2.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 156.39 177.69 29.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 2.0 ppt_? -113.9 140.04 48.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 3.0 t -49.71 165.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.536 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.2 -76.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.9 mtp -67.12 -34.47 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' A' ' 1' ' ' MET . 46.6 mt-10 54.93 117.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -113.12 129.88 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 p -81.38 158.98 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.42 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.3 mt-10 -72.91 -47.93 41.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -73.78 -42.66 60.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.06 -31.48 67.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -73.03 -7.01 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 1.2 mt-30 -102.76 14.01 33.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.598 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 59.3 m-85 -136.76 60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.1 p30 -112.4 8.55 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 70.08 98.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 175.83 -34.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -152.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.38 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.07 34.01 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.61 129.54 73.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.598 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 165.34 31.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.6 mp -102.65 124.47 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 21.5 m-85 -128.73 130.1 46.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.61 HG22 ' CZ ' ' A' ' 38' ' ' TYR . 17.7 t -105.98 153.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -117.87 136.16 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.618 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 2.1 mt -151.97 111.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' CE ' ' CD1' ' A' ' 81' ' ' LEU . 2.8 mmmp? 72.99 10.64 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.64 15.81 38.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 1.5 ttm-85 -113.49 131.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 24.5 t -87.96 123.84 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 46.8 m-85 -118.06 149.36 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.83 124.81 39.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.818 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 25.5 m -127.64 4.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.531 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.32 -22.78 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -54.71 -9.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.441 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -148.73 49.41 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.2 pttt -49.59 -24.44 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -18.42 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.1 m-85 -107.78 -38.97 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.818 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 4.1 m-85 -95.04 -38.87 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.56 171.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 t -34.24 120.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.82 94.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -155.82 -175.3 26.67 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.675 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -111.81 65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -31.96 68.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -81.98 -32.54 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CD2' ' HB3' ' A' ' 44' ' ' TYR . 4.3 m-30 -72.12 -34.22 68.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.93 123.25 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 50.68 40.58 41.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 4.0 mtmt -161.52 155.21 21.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 38.0 t0 -88.26 111.36 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.669 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -99.74 63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 m -75.17 -55.15 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 4.1 mmm180 -61.61 -46.08 91.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . . . -57.97 -46.73 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.626 ' O ' ' CD1' ' A' ' 84' ' ' TRP . 3.7 mp -59.27 -50.95 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.628 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.17 -83.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -22.37 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.475 ' CG ' HG23 ' A' ' 80' ' ' THR . 11.3 mtp 74.78 36.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.04 -172.15 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.44 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -130.99 39.49 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -75.35 139.89 42.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -77.05 -22.49 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.45 -20.74 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.585 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 m-20 -59.2 -48.97 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 52.7 t -34.31 105.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.425 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -119.23 107.08 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.62 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 144.34 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.487 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 59.3 mt -73.93 55.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 15.0 pt-20 -108.97 54.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.61 -20.37 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.521 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 2.4 mm? -54.15 107.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.61 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 20.9 p -77.58 -179.35 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -65.94 -41.94 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -52.91 -49.92 64.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.755 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pt-20 -79.58 -40.8 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 74' ' ' THR . 1.0 OUTLIER -52.26 -29.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.63 -47.44 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.475 HG23 ' CG ' ' A' ' 59' ' ' MET . 27.5 m -76.76 -47.76 20.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -55.3 -56.5 19.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.468 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 3.1 m120 -50.77 -37.26 41.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -35.57 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.626 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 16.8 m95 -59.88 -43.34 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -63.3 -45.05 93.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.62 -34.14 77.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.9 mttm -73.39 -42.9 61.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CD2' ' CD1' ' A' ' 24' ' ' ILE . 2.1 m-85 -68.91 -43.56 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.49 -19.36 61.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.27 -10.84 31.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -120.64 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.66 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 13.2 m-85 -64.13 142.15 98.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.01 138.52 23.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.488 HG22 ' CE1' ' A' ' 29' ' ' PHE . 23.5 t -93.26 109.83 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -88.66 -8.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.27 -175.18 41.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -123.98 141.13 52.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.466 ' O ' ' HD2' ' A' ' 97' ' ' ARG . 31.5 t -59.33 120.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -103.75 -58.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mtt -69.92 -34.47 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 8.3 mt-10 56.39 112.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -108.26 128.54 54.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 p -80.39 159.63 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.11 -29.3 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.4 -46.97 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.735 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -73.65 -33.15 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 10.5 tp -77.91 -24.35 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 5.6 m -80.08 -0.89 37.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.562 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.3 pt20 -116.37 20.48 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 23.5 m-85 -136.81 52.09 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.9 p30 -109.92 12.18 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.29 104.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER 176.9 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.401 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.403 ' N ' ' CG2' ' A' ' 14' ' ' THR . 0.2 OUTLIER -55.28 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -87.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -123.4 30.01 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -58.77 139.95 86.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.656 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 160.76 39.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.3 mp -104.76 114.41 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 21.1 m-30 -130.69 134.92 47.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG23 ' CE1' ' A' ' 38' ' ' TYR . 13.6 t -113.75 167.75 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . . . -124.8 141.47 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.585 HD13 ' CD2' ' A' ' 88' ' ' PHE . 43.3 mt -152.48 113.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 0.7 OUTLIER 68.13 14.3 9.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.34 12.0 55.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.487 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 2.5 ttm-85 -112.02 132.32 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 10.9 t -84.77 120.84 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.646 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 60.5 m-85 -117.49 141.82 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 4.2 m-20 -89.46 134.18 34.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.765 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -132.23 9.16 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.69 -26.31 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -9.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.94 46.18 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 13.2 pttt -50.11 -24.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -18.14 31.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 69.5 m-85 -107.21 -44.1 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.825 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -91.94 -39.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.46 173.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -38.53 128.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.046 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' OG ' ' A' ' 45' ' ' SER . . . 43.73 87.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -154.77 -179.25 29.85 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -40.12 -52.07 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.825 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.1 m-85 -105.95 61.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.403 ' OG ' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -74.1 -31.34 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -82.69 -31.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 5.7 m-30 -77.13 -34.77 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -43.46 126.35 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.36 36.47 46.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 5.8 mtpt -158.7 149.35 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.579 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 13.8 t0 -88.01 116.74 26.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB3' ' CD1' ' A' ' 47' ' ' PHE . . . -106.55 64.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.467 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 69.3 m -74.9 -54.95 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.79 -41.68 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 60' ' ' SER . . . -58.82 -43.14 90.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.632 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 5.2 mp -63.53 -47.7 80.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.564 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -51.76 -77.83 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.2 OUTLIER -61.47 -19.27 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.1 mtt 75.77 39.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -114.97 165.64 12.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CE ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -107.94 13.62 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.406 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 4.9 t-20 -50.67 137.24 20.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -68.64 -17.26 64.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -89.4 -21.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.491 ' HB3' ' N ' ' A' ' 55' ' ' ALA . 1.7 m-20 -72.16 -26.46 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 69.8 t -66.01 80.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 27.6 p -113.57 117.43 44.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.579 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.03 9.0 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 142.29 21.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 73' ' ' LEU . 6.8 mt -70.63 53.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.6 51.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.31 0.82 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.529 ' CD1' ' HG2' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -50.22 109.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.535 ' OG1' ' CD ' ' A' ' 77' ' ' GLU . 16.4 p -72.97 -169.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.464 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.64 -44.34 67.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.59 -50.45 60.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.794 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pm0 -74.79 -44.36 49.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.28 -29.84 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -84.92 -46.93 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 20.7 m -74.67 -47.6 30.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.794 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.11 -56.54 20.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 3.4 m-20 -51.18 -34.58 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -34.57 59.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.632 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 11.8 m95 -60.38 -31.08 70.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -66.21 -49.61 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.578 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -60.68 -31.73 70.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.3 mtpt -75.14 -40.62 59.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -81.24 -44.61 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.646 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 5.6 tp10 -66.8 -33.77 76.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -96.14 34.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 90' ' ' ALA . 35.8 mttm -157.65 -56.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 14.0 m-85 -86.98 142.25 33.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 135.04 18.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG21 ' CE1' ' A' ' 29' ' ' PHE . 66.5 t -90.52 109.36 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.503 ' CG1' ' OD1' ' A' ' 30' ' ' ASP . 14.8 m -88.07 -13.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 173.06 -176.96 45.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.491 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -124.4 136.98 54.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.496 ' CG2' HG21 ' A' ' 28' ' ' VAL . 53.4 t -58.21 131.13 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.31 -50.19 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . 0.46 ' CG ' ' HA2' ' A' ' 96' ' ' GLY . 18.3 Cg_endo -75.02 -160.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.5 mmm -63.63 -35.73 81.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 3.3 mt-10 54.87 110.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.542 ' CE1' ' CG2' ' A' ' 95' ' ' VAL . 48.0 m-85 -109.26 129.96 55.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 36.6 p -84.18 162.76 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -54.07 -28.24 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 14.7 mp0 -71.28 -47.88 54.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.741 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -42.28 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.415 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 5.3 tp -66.46 -24.44 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 4.1 m -79.0 -6.46 56.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 10.2 pt20 -117.82 28.86 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 25.3 m-85 -145.37 55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.514 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 10.9 p30 -113.21 16.63 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.64 98.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -176.86 -50.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.46 ' N ' ' CG2' ' A' ' 14' ' ' THR . 0.1 OUTLIER -57.21 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -44.85 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 18.75 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -48.56 135.83 12.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.95 155.03 43.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.4 mp -97.96 117.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 17.9 m-85 -130.14 129.7 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.628 HG23 ' CE1' ' A' ' 38' ' ' TYR . 20.2 t -106.53 174.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -133.89 143.64 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HD3' ' A' ' 25' ' ' LYS . 3.3 mt -148.1 112.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 1.1 mtpp 59.94 17.58 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.42 16.16 35.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.483 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -112.01 126.63 55.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 95.9 t -83.57 121.54 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.486 ' HE1' ' CB ' ' A' ' 89' ' ' GLU . 41.2 m-85 -117.49 153.11 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.25 127.33 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.775 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 8.0 m -129.95 5.21 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.54 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.55 -25.2 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -56.5 -8.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.83 46.51 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -50.3 -24.01 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -18.67 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 43' ' ' ASP . 12.5 m-85 -108.21 -44.17 4.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.787 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -90.49 -39.88 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.83 176.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.5 p -37.51 133.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 36.2 87.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -153.17 178.0 30.48 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.82 -53.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.787 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.2 m-85 -103.28 59.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.55 -31.91 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.576 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.21 -26.74 33.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.711 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.8 m-30 -82.38 -35.02 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -46.55 127.28 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 55.77 32.85 59.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 6.5 mtpt -156.8 152.47 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 55.8 t0 -88.22 92.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.711 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -85.0 51.1 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 81' ' ' LEU . 11.4 p -75.35 -47.97 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CD ' ' HB2' ' A' ' 67' ' ' SER . 8.3 mtm180 -67.04 -48.84 67.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.61 -31.58 69.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.587 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 10.2 mt -73.7 -42.18 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -60.27 -77.67 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -58.51 -22.16 54.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.498 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 1.3 mtt 67.97 53.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -109.2 -15.68 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 60' ' ' SER . 1.3 pttt 52.89 20.73 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.66 139.77 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' O ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.25 -20.48 63.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.57 -20.62 22.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 16.6 m-20 -73.14 -46.86 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.546 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -49.01 116.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.459 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -132.99 129.73 21.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.639 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.03 6.08 3.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 126.48 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 ' C ' HD11 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -86.85 50.6 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 16.6 pt-20 -88.71 51.27 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 165.67 -25.55 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.532 ' CD1' ' OE1' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -35.19 117.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.522 ' CG2' ' HG2' ' A' ' 77' ' ' GLU . 4.9 t -89.43 -179.98 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.23 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 1.3 ptpt -51.15 -51.53 52.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.77 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.7 pt-20 -80.02 -41.78 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -52.67 -47.27 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -49.88 -53.56 25.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.584 ' O ' ' N ' ' A' ' 84' ' ' TRP . 26.0 m -79.51 -46.68 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -56.7 -59.07 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.0 t-20 -51.83 -51.79 54.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.89 -32.8 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -58.72 -38.23 77.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.77 -45.11 95.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -65.97 -34.65 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -73.37 -42.67 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.5 OUTLIER -72.9 -42.95 63.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' CB ' ' HE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.02 -19.55 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.27 -16.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -65.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.637 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 12.2 m-85 -73.02 137.95 79.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.0 134.61 18.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 29' ' ' PHE . 21.5 t -85.7 108.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.542 ' CG2' ' CE1' ' A' ' 3' ' ' PHE . 32.5 m -85.54 -5.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 0' ' ' PRO . . . 151.93 -173.76 31.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -112.72 144.85 41.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' GLY . 3.2 t -61.47 112.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 11.1 m -107.91 103.89 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo -74.98 -159.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 2' ' ' GLU . 59.1 mmm -73.82 -34.57 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.5 mp0 53.9 109.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 94.4 m-85 -107.86 128.53 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.4 p -78.99 161.83 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.81 -33.63 56.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.11 -47.36 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.765 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -73.58 -33.83 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 1.2 tp -77.42 -24.89 50.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 11.1 t -79.41 -1.11 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.2 pt20 -116.84 29.15 8.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.765 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.5 m-85 -145.79 58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 2.0 p30 -109.32 2.89 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 78.9 95.71 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -175.75 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.415 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.49 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 m -121.62 34.75 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.48 132.38 91.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.02 159.39 41.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 HD13 ' CB ' ' A' ' 35' ' ' LYS . 2.1 mp -100.9 122.39 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 19.1 m-30 -128.79 135.64 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.767 HG23 ' CE1' ' A' ' 38' ' ' TYR . 16.7 t -113.72 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -114.53 134.37 55.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 56' ' ' LEU . 7.1 mt -146.16 110.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 4.5 mtpp 70.41 12.93 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.03 17.11 33.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -115.06 129.98 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 25.0 t -84.93 122.57 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' HG22 ' A' ' 94' ' ' VAL . 44.0 m-85 -116.33 151.67 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.647 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.51 124.13 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.734 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 10.3 m -126.03 7.34 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.576 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -52.81 -25.63 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -54.49 -9.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.4 46.13 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -49.73 -23.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -17.91 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.3 m-85 -108.65 -42.62 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -93.09 -38.62 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.53 174.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' GLY . 28.9 t -37.87 129.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.15 83.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.64 -179.93 23.13 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -45.18 -50.45 11.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.8 m-85 -100.08 57.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -72.38 -32.1 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.99 -31.25 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.706 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 10.3 m-30 -77.14 -33.6 56.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.53 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.0 122.78 10.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.63 33.75 88.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 17.8 mttt -163.82 150.17 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.642 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 41.8 t0 -86.78 104.6 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.706 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -91.96 56.06 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.477 ' CB ' ' CD1' ' A' ' 81' ' ' LEU . 4.3 m -75.39 -56.87 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.543 ' NH1' ' CB ' ' A' ' 67' ' ' SER . 1.8 mtm-85 -64.78 -42.29 95.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.609 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 15.0 mt -73.68 -47.78 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -57.5 -69.95 1.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -62.92 -21.33 65.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 3.0 mtt 67.16 48.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.45 -28.47 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.8 mttt 61.83 28.33 17.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' A' ' 64' ' ' GLU . 2.6 t-20 -87.28 133.31 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HA ' HG13 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -63.36 -17.39 62.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.0 -23.77 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 14.6 m-20 -76.23 -39.22 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -45.99 118.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.543 ' CB ' ' NH1' ' A' ' 54' ' ' ARG . 76.7 p -128.34 124.61 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.642 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 5.95 3.71 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 143.59 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.32 49.64 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.1 pt-20 -91.91 48.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 163.96 -23.24 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 81' ' ' LEU . 1.7 mm? -36.43 99.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.524 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 21.7 p -66.91 -172.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.557 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.98 -43.02 72.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 9.3 ptpt -52.57 -51.18 61.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.788 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pm0 -75.76 -39.59 56.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.557 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -52.23 -28.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -91.44 -42.25 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 24.0 m -74.85 -42.66 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.788 ' N ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tp -61.62 -51.33 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -46.91 -60.03 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 1.2 m95 -59.24 -43.34 92.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.51 -50.59 70.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.589 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.7 m -58.99 -30.83 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 9.8 mttm -75.35 -42.31 54.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CZ ' ' HE2' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.7 -42.75 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.587 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.99 -35.7 78.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -91.37 31.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 12.8 mttt -153.22 -52.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.647 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 15.3 m-85 -91.32 141.37 26.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.96 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.586 HG22 ' CD1' ' A' ' 29' ' ' PHE . 64.3 t -90.3 109.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.2 m -90.42 -12.01 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.96 -179.05 43.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -124.72 131.8 53.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' GLY . 36.0 t -50.56 150.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -58.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.3 mtt -65.49 -35.21 80.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 1' ' ' MET . 2.1 mt-10 58.44 119.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 24.3 m-85 -110.34 130.02 55.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p -79.33 154.69 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.68 -31.71 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.17 -46.34 56.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -73.39 -38.27 65.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.575 ' CD2' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -60.77 -43.51 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.463 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 9.1 t -57.55 -14.06 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 4.7 mt-30 -87.01 16.34 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 41.7 m-85 -147.19 56.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.497 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 2.0 p30 -120.81 21.16 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.32 83.41 0.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -136.86 -62.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -79.91 -161.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.17 -54.07 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.2 m -77.58 -40.2 43.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 2.0 mmtm -40.56 116.73 1.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.05 176.58 9.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.4 mp -116.45 125.07 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.488 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 23.1 m-30 -129.27 136.69 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.648 ' CG2' ' CE1' ' A' ' 38' ' ' TYR . 41.4 t -114.95 149.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 51' ' ' ASP . . . -109.52 136.04 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.613 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 4.4 mt -150.1 112.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 11.1 mmmm 71.52 11.47 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 97.66 12.57 46.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 5.2 ttm180 -112.71 129.61 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 21' ' ' TYR . 75.2 t -87.56 123.03 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 51.9 m-85 -115.66 156.9 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.686 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.58 128.07 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.785 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 16.3 m -131.3 7.71 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.57 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.44 -25.49 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -9.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -150.06 47.85 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -48.39 -24.04 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -61.82 -17.2 55.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 25.3 m-85 -108.12 -43.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.813 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 2.7 m-85 -97.6 -36.29 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -56.77 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 p -58.66 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 40' ' ' SER . . . -64.66 66.15 0.07 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.19 -135.31 4.97 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -105.67 -25.55 12.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.813 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -111.49 37.6 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 p -58.8 -31.88 68.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.607 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.23 -30.3 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 4.8 m-30 -80.01 -32.88 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -43.04 115.35 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . 61.95 37.79 94.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' PHE . 10.8 mtpt -153.88 144.94 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.691 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 66.1 t0 -77.23 79.44 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . -75.69 58.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.415 ' C ' HD12 ' A' ' 73' ' ' LEU . 3.7 m -73.05 -54.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.535 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 7.2 mtm180 -61.81 -47.1 86.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . -59.73 -35.6 74.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.632 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 11.3 mt -71.61 -45.86 60.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -58.66 -78.8 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.09 -18.74 10.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 10.7 mtp 75.57 29.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.12 163.27 12.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.8 mtpm? -110.56 38.29 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -81.63 130.37 35.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -72.26 -20.3 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.48 -22.02 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' NE ' ' A' ' 54' ' ' ARG . 2.6 m-20 -64.95 -48.91 72.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -48.82 118.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 124.34 23.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.691 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 4.74 4.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.7 145.06 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' ' HE3' ' A' ' 25' ' ' LYS . 50.2 mt -77.28 51.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.87 51.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 74' ' ' THR . . . 163.94 -26.17 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.535 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 4.1 mm? -50.73 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.8 p -75.12 -177.48 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -66.06 -43.3 87.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 5.4 ptpt -52.6 -52.37 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.768 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -75.27 -40.66 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -54.05 -47.21 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 3.4 m-20 -50.4 -52.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.581 HG21 ' CD1' ' A' ' 84' ' ' TRP . 21.7 m -79.57 -46.55 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -57.42 -57.2 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.3 t-20 -52.8 -39.27 62.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 1.7 m-20 -75.62 -29.42 59.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.632 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 2.6 m95 -60.17 -42.47 95.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -60.9 -45.74 93.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -65.45 -35.17 80.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -73.87 -43.06 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.613 ' CD2' ' CD1' ' A' ' 24' ' ' ILE . 1.8 m-85 -71.66 -42.76 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.88 -19.7 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.39 -14.43 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -114.84 -70.39 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.686 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 10.0 m-85 -67.93 142.13 95.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HG2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -74.99 137.6 21.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.42 108.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG2' HG12 ' A' ' 28' ' ' VAL . 27.5 m -85.78 -9.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 159.72 -179.98 34.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.684 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -117.24 134.29 54.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 7.0 t -46.6 163.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -149.48 -88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.041 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.9 mtm -69.23 -36.33 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 1' ' ' MET . 12.9 mt-10 59.45 122.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 95' ' ' VAL . 59.4 m-85 -109.74 128.9 55.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.1 p -78.24 155.44 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -52.14 -27.19 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.59 -48.05 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.715 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.77 -37.61 64.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 1.4 tp -72.55 -26.01 61.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 26.9 p -76.86 -5.25 47.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 11.7 pt20 -117.07 16.46 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.725 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 20.4 m-85 -131.21 64.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.7 p30 -123.92 13.15 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.29 98.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.07 -44.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.78 -158.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.32 -79.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 28.52 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HD3' ' HD2' ' A' ' 19' ' ' PRO . 2.7 mmtm -69.27 131.51 90.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.725 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -75.0 162.5 37.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -107.17 110.41 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.424 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 17.5 m-85 -129.79 136.01 49.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.691 HG12 ' CZ ' ' A' ' 38' ' ' TYR . 1.8 m -116.06 149.22 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.49 150.99 26.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.42 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 3.6 mt -154.84 109.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CG ' HD12 ' A' ' 81' ' ' LEU . 2.5 mmmp? 65.12 18.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.8 13.66 49.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 ttm-85 -112.9 129.35 56.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 96' ' ' GLY . 99.4 t -87.17 121.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 27' ' ' ARG . 39.4 m-85 -114.14 142.83 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.639 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -88.75 123.76 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.737 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 10.3 m -125.51 1.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.526 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -52.04 -25.37 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.96 -10.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.76 49.32 0.49 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.4 ptmt -49.14 -23.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -18.28 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 43' ' ' ASP . 87.0 m-85 -108.68 -43.58 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.851 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -92.07 -39.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.99 175.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -36.51 130.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.81 87.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -151.02 -179.65 26.94 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -41.24 -51.62 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.851 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.6 m-85 -103.97 58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -72.98 -28.66 62.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -84.3 -32.8 24.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.696 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 5.0 m-30 -75.53 -33.72 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -48.51 126.56 11.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.9 37.33 52.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 7.8 mtpt -161.29 150.53 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.681 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 29.2 t0 -80.81 102.79 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.64 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -91.56 52.5 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.88 -54.82 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.539 ' CD ' ' CD2' ' A' ' 73' ' ' LEU . 4.2 mtm180 -67.44 -40.32 85.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . . . -59.11 -44.39 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.595 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 8.1 mt -71.73 -44.9 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -56.96 -74.15 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -60.92 -27.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.495 ' CE ' HG23 ' A' ' 80' ' ' THR . 0.0 OUTLIER 74.94 38.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -33.51 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.5 mttt 72.12 10.91 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.1 m120 -72.2 140.25 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HA ' HG13 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -76.04 -19.42 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.03 -18.32 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.577 ' OD1' ' N ' ' A' ' 66' ' ' VAL . 1.3 p30 -81.96 -34.36 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.577 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -48.87 118.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 8.0 p -123.67 122.69 26.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.681 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.07 9.7 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.571 1.827 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.22 138.93 14.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -76.95 52.54 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.11 13.86 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.14 28.74 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.556 ' CD1' ' OE1' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -90.07 121.49 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.542 ' CG2' ' HG2' ' A' ' 77' ' ' GLU . 4.7 t -86.96 -178.65 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -65.94 -41.46 91.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -50.65 -50.8 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.8 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.3 pt-20 -80.99 -42.81 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.593 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER -47.85 -27.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -86.8 -45.51 10.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 84' ' ' TRP . 95.5 m -77.81 -45.55 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -55.57 -57.19 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 78' ' ' ILE . 3.6 m-80 -53.12 -47.53 68.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.403 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -67.35 -34.43 77.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.595 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 1.6 m95 -63.76 -39.27 93.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -62.06 -44.28 97.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.87 -33.47 76.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 2.1 mttt -73.43 -43.83 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -72.43 -41.74 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.87 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.37 -14.33 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -65.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 14.4 m-85 -74.69 140.4 74.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 134.46 17.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.545 HG22 ' CE1' ' A' ' 29' ' ' PHE . 47.2 t -89.25 107.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 3' ' ' PHE . 33.0 m -85.52 -13.06 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 163.0 -179.44 38.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.518 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.8 OUTLIER -114.45 140.68 48.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 2.5 t -47.58 165.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.527 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.48 -84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -168.84 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 56.0 mmm -64.95 -27.33 68.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.9 mt-10 55.96 111.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -107.89 129.37 55.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.511 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 64.7 p -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.51 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 1.4 mt-10 -71.36 -47.23 57.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.455 ' NE2' ' OH ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -74.88 -41.08 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -36.27 76.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -68.85 -7.63 36.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 13.1 mm100 -85.33 -27.86 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.655 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -102.64 65.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -111.5 11.17 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 66.96 91.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 173.8 -37.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -160.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.37 -56.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.32 59.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 3.3 mmtt -120.7 135.44 24.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.95 -170.56 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.3 mt -123.61 102.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CE2' HG23 ' A' ' 95' ' ' VAL . 8.5 m-30 -120.14 134.38 55.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 38' ' ' TYR . 9.8 t -114.06 148.68 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' HA ' ' A' ' 51' ' ' ASP . . . -109.18 131.29 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.585 HD13 ' CD2' ' A' ' 88' ' ' PHE . 3.9 mt -137.2 109.56 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 4.3 mtpp 68.56 12.69 8.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 100.06 13.94 35.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.03 127.02 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 26.0 t -81.1 122.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 37.7 m-85 -115.27 159.06 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.567 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -101.81 125.36 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.67 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 5.1 m -127.73 6.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.567 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.52 -25.68 7.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 p -56.32 -9.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.9 45.74 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.6 pttt -49.44 -24.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.39 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 42.5 m-85 -107.72 -43.23 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.837 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -94.67 -39.02 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -48.25 178.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.2 p -37.81 132.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.84 82.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -142.46 177.91 21.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 48.8 m-20 -45.88 -50.95 13.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.837 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.4 m-85 -97.8 56.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 3.1 m -73.07 -33.51 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.537 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.53 -22.82 34.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.704 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.5 m-30 -84.23 -35.6 23.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.17 134.86 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 49.94 32.73 19.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 35.5 mtpt -157.23 152.19 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.654 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 62.7 t0 -90.43 94.14 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.704 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -84.83 49.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 p -75.48 -47.57 26.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 4.8 mtm180 -63.85 -47.93 78.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -57.97 -41.05 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.611 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 5.0 mp -57.65 -37.01 72.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.96 -81.45 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.3 OUTLIER -56.84 -26.09 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.537 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 68.93 50.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 -17.69 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' MET . 0.4 OUTLIER 60.21 14.4 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 66' ' ' VAL . 3.0 m120 -61.85 139.89 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -72.08 -20.69 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -22.1 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 5.3 m-20 -72.19 -47.9 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.543 ' CG2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -47.62 118.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -136.12 136.33 22.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.654 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 6.97 3.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.58 133.58 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.22 23.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.83 58.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.12 -26.79 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 ' CD2' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -46.85 111.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.504 ' CG2' ' OE2' ' A' ' 77' ' ' GLU . 27.9 p -78.31 -171.37 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.61 -42.75 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 4.8 ptpt -51.78 -51.93 52.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.798 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.3 pm0 -75.01 -41.14 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -56.47 -49.72 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -51.75 -47.61 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 84' ' ' TRP . 48.9 m -80.56 -49.94 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.39 -58.59 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.2 t-20 -49.12 -35.41 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.18 -32.92 56.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.611 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 21.0 m95 -59.78 -30.68 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -65.07 -52.01 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.555 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.2 m -58.69 -30.22 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.592 ' HE2' ' CE3' ' A' ' 84' ' ' TRP . 10.5 mtpt -77.91 -40.85 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.613 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.0 OUTLIER -81.22 -39.39 25.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -70.7 -33.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -89.45 19.84 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 3.8 mttt -146.07 -61.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.613 ' N ' ' O ' ' A' ' 88' ' ' PHE . 18.1 m-85 -86.87 128.45 56.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.98 24.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.8 OUTLIER -93.14 109.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.607 HG23 ' CE2' ' A' ' 21' ' ' TYR . 32.3 m -89.53 2.91 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.47 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 169.49 173.44 37.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.672 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.91 127.32 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' GLY . 14.0 t -44.81 146.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -151.59 -52.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.511 ' HA ' ' CB ' ' A' ' 4' ' ' THR . 48.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmm -62.91 -38.25 90.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.2 mt-10 57.51 115.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 46.5 m-85 -109.32 130.64 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.7 p -76.41 154.77 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.44 -30.01 38.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.7 mt-10 -72.02 -46.12 58.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -73.2 -42.33 62.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -58.43 -33.47 69.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -70.55 -7.13 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 2.8 mt-30 -99.21 6.59 46.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 71.6 m-85 -131.46 57.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.487 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.2 p-10 -107.11 11.36 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.59 95.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.74 -172.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 -94.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LYS . 35.1 m -109.92 -3.93 16.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -35.73 127.36 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.02 166.25 29.57 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.801 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.0 mp -100.62 123.72 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 20.7 m-30 -129.04 129.4 45.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 10.9 t -109.61 151.99 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 98' ' ' VAL . . . -109.38 131.96 54.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.42 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -136.16 110.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 1.7 mtpm? 63.7 15.36 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.57 16.69 28.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.672 ' CD ' ' CZ ' ' A' ' 29' ' ' PHE . 14.2 ttm180 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 41.1 t -82.0 120.88 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.672 ' CZ ' ' CD ' ' A' ' 27' ' ' ARG . 31.8 m-85 -112.93 167.76 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -111.56 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.748 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 6.2 m -128.47 6.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.524 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.07 -23.88 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -54.71 -10.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.52 49.45 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -49.57 -27.47 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.547 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -59.39 -15.17 15.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CA ' ' HB2' ' A' ' 43' ' ' ASP . 13.7 m-85 -108.9 -43.2 4.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.903 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -96.0 -40.37 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -59.07 -104.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.41 74.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.547 ' HA3' ' O ' ' A' ' 36' ' ' SER . . . -148.93 -44.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.619 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . 129.12 131.87 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.626 ' HB2' ' CA ' ' A' ' 37' ' ' PHE . 1.3 m-20 145.07 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.903 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 8.2 m-85 -147.19 20.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -28.64 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.947 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.08 -26.02 34.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.673 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 11.7 m-30 -87.49 -34.63 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 127.97 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 58.24 30.99 65.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.8 mtpt -158.99 151.07 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.681 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 46.6 t0 -85.82 109.09 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.673 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -96.85 52.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -53.43 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -67.92 -45.01 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.72 -34.78 73.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 15.4 mt -72.17 -47.08 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -60.33 -68.94 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 9.8 mttm -60.48 -26.59 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtp 67.67 48.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -22.55 12.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 60.38 20.14 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' OD1' ' CG ' ' A' ' 64' ' ' GLU . 24.5 t-20 -70.18 129.29 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -57.5 -18.87 21.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.31 -22.03 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 7.5 m-20 -75.75 -17.94 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -71.03 92.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 63.5 p -115.23 127.95 26.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.681 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 6.0 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.74 122.42 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.455 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -78.48 54.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.57 14.59 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.51 24.2 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 ' HG ' ' CB ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -80.56 102.62 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 9.0 t -70.82 -170.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 1.3 mt-10 -69.44 -42.25 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.91 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.797 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.9 pm0 -75.28 -44.09 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.21 -29.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -86.19 -46.68 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 84' ' ' TRP . 22.1 m -75.89 -46.85 27.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.27 -56.02 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 3.8 m-20 -48.6 -54.72 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.486 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.83 -40.76 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 4.3 tt0 -60.99 -49.37 77.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 m -59.98 -32.96 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.1 mttm -76.48 -39.1 54.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -77.95 -40.11 40.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.91 -30.96 64.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -84.0 8.77 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -136.76 -62.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.606 ' N ' ' O ' ' A' ' 88' ' ' PHE . 22.3 m-85 -84.88 127.95 62.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 144.46 30.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -97.62 111.28 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.6 10.16 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 160.74 171.05 26.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -119.83 127.05 52.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.488 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 9.5 t -46.22 126.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -89.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . 0.543 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.3 Cg_endo -74.98 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 47.3 mtp -72.31 -33.33 67.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.8 mt-10 52.49 105.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 65.4 m-85 -108.2 131.22 54.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -75.1 155.1 37.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.53 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 31.6 mt-10 -71.5 -46.6 59.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.593 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 58.2 mm-40 -72.95 -37.15 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 1.1 tp -65.78 -30.02 70.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -76.69 4.14 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 10.5 mt-30 -99.51 13.71 32.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 33.7 m-85 -139.33 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.43 ' HA ' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -89.77 16.39 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.11 103.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 175.48 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 7.1 m-20 -71.09 -174.95 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.55 -51.46 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.8 m -95.22 -49.5 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -37.87 122.75 1.0 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.98 -162.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.9 mp -123.89 118.13 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 22.1 m-30 -124.7 138.2 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.715 HG21 ' CE1' ' A' ' 38' ' ' TYR . 4.1 t -116.84 149.89 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HB3' ' CD2' ' A' ' 8' ' ' LEU . . . -108.26 132.3 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.581 HD13 ' CD2' ' A' ' 88' ' ' PHE . 4.8 mt -142.16 112.24 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' CE ' HD22 ' A' ' 70' ' ' LEU . 10.3 mmmm 67.11 13.4 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.13 33.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -116.09 128.49 55.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.567 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 39.9 t -82.26 121.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 52.3 m-85 -116.79 146.27 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 1.9 m-20 -92.73 131.05 38.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.743 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 13.1 m -132.44 8.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.438 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -52.01 -24.41 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.448 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -56.6 -9.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.32 46.52 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -50.1 -23.46 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.88 -18.26 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 11.3 m-85 -108.18 -45.12 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.823 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -91.07 -37.57 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -43.27 169.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.9 t -36.08 126.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.8 87.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.84 -177.34 26.34 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -40.09 -50.72 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.823 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.9 m-85 -105.92 60.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -74.07 -32.56 63.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.95 -29.61 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 8.9 m-30 -78.36 -34.25 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.13 131.25 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 46.93 37.09 9.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 3.2 mtpm? -158.54 149.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.764 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.737 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 13.2 t0 -88.1 119.9 28.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.97 60.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 1.2 m -74.03 -55.9 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -69.08 -40.58 78.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 60' ' ' SER . . . -60.41 -41.37 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 34.7 mt -70.02 -49.36 52.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.516 ' O ' ' CG2' ' A' ' 80' ' ' THR . . . -54.93 -75.16 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -21.03 56.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.423 ' HE3' ' CG2' ' A' ' 80' ' ' THR . 4.8 mtp 74.99 45.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.538 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -124.08 143.71 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -90.69 20.88 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . 2.8 m120 -57.28 148.09 23.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.18 -24.14 51.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.67 -20.96 23.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 2.7 m-20 -68.88 -17.37 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 51' ' ' ASP . 21.8 t -80.95 98.73 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -120.9 125.16 27.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.737 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -74.98 6.23 3.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.511 1.796 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.12 140.14 22.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -73.69 54.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.5 pt-20 -98.32 67.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 74' ' ' THR . . . 142.48 -8.99 2.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 1.9 mm? -57.49 108.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 1.4 p -78.79 -169.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.489 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.15 -43.07 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.06 -51.24 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -76.72 -44.99 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.53 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.83 -30.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -83.69 -44.46 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 19.9 m -75.89 -47.13 26.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -58.44 -54.9 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -45.79 -52.36 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -63.72 -38.58 91.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -59.31 -45.08 92.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 6.7 tt0 -61.43 -49.2 77.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.7 m -60.22 -32.54 71.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 12.1 mttm -76.06 -39.75 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER -78.56 -40.5 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.577 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.74 -30.08 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -87.81 0.84 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -126.24 -68.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.599 ' CG ' HG12 ' A' ' 31' ' ' VAL . 14.2 m-85 -76.47 133.1 71.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.05 137.32 21.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -94.01 108.57 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.534 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 13.2 m -86.0 3.35 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 165.23 172.78 33.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.567 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -121.56 129.75 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 26' ' ' GLY . 55.9 t -50.69 149.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 -51.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.618 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -90.1 34.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.4 mt-10 -17.86 121.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 1' ' ' MET . 29.4 m-85 -108.24 130.8 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.6 p -81.8 152.0 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.11 -28.81 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.26 -47.13 58.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.1 mp0 -74.15 -41.49 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.568 ' CD2' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.429 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 43.4 t -58.25 -13.19 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 7.4 mm100 -77.5 -13.48 59.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CE2' ' HG3' ' A' ' 18' ' ' LYS . 14.8 m-85 -128.95 68.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.413 ' O ' ' CG ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -119.74 21.78 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.58 86.66 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.43 -44.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 2.1 m-20 -83.46 -176.02 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -94.59 -79.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -57.2 -49.22 76.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.615 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -41.36 121.53 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 -169.37 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 3.4 mp -123.74 129.8 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 23.4 m-30 -127.38 138.79 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.728 HG21 ' CE1' ' A' ' 38' ' ' TYR . 6.2 t -118.25 147.44 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.66 137.58 45.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.588 HD12 ' CD2' ' A' ' 88' ' ' PHE . 17.8 mt -147.62 110.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 85' ' ' GLU . 1.1 mtpm? 67.79 13.07 9.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.41 15.51 32.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 1.2 ttm180 -114.59 131.03 56.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.541 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 85.1 t -88.35 126.99 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CE1' HG23 ' A' ' 94' ' ' VAL . 49.1 m-85 -121.43 151.87 39.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.62 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.34 126.13 42.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.716 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 11.2 m -128.73 5.81 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.573 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.03 -23.63 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 p -55.58 -9.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.5 48.12 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.3 pttt -49.28 -25.03 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -17.53 15.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.607 ' O ' ' N ' ' A' ' 43' ' ' ASP . 74.3 m-85 -109.08 -41.9 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.832 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -96.54 -37.64 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -53.22 -115.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.12 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.057 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 64.19 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.98 -139.8 7.21 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.6 m-20 -94.9 -32.13 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 m-85 -110.84 49.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 p -66.41 -31.64 72.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.532 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.88 -30.07 24.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.9 m-30 -72.65 -36.01 67.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' C ' ' HB2' ' A' ' 12' ' ' ASN . . . -45.3 126.18 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.568 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . 49.74 39.68 31.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 21.1 mtmt -156.86 139.64 15.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.693 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 11.9 t0 -77.04 112.86 14.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 56' ' ' LEU . . . -104.96 58.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.42 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 27.1 p -74.21 -54.03 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' N ' HD11 ' A' ' 73' ' ' LEU . 1.7 mtm180 -67.49 -40.59 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' CA ' ' HB3' ' A' ' 65' ' ' ASP . . . -61.01 -45.19 95.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.642 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 5.1 mp -61.48 -48.83 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.552 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.3 -80.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' A' ' 77' ' ' GLU . 2.4 mttm -56.53 -20.94 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 mtp 74.25 42.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.04 168.84 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -110.5 17.76 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.6 146.3 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.22 -23.58 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -20.5 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 11.6 m-20 -68.54 -26.11 65.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -78.17 90.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 2.3 t -119.09 129.48 25.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.693 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.0 7.94 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -150.77 106.43 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.69 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -33.02 -48.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.69 ' C ' ' O ' ' A' ' 70' ' ' LEU . 16.4 mt-10 -0.81 77.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 138.63 -39.08 1.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -40.48 114.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.525 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 29.2 p -77.97 -170.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -69.2 -42.23 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.4 ptpt -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.759 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -75.46 -42.11 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.98 -28.21 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -84.76 -47.31 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 56' ' ' LEU . 24.2 m -75.12 -46.96 31.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.759 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -55.97 -54.67 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.1 m-80 -53.37 -37.82 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -71.39 -34.55 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.642 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 12.7 m95 -61.34 -38.43 86.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -67.53 -47.28 70.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -63.19 -33.7 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.5 mttt -73.72 -39.66 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CD2' HD12 ' A' ' 24' ' ' ILE . 1.1 m-30 -75.8 -42.95 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.9 -19.46 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -90.5 -9.82 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -69.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 11.2 m-85 -67.2 138.89 94.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.01 139.49 24.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.597 HG23 ' CE1' ' A' ' 29' ' ' PHE . 35.3 t -91.84 109.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.9 m -88.13 -6.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.97 -176.94 38.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.617 ' CD ' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -126.96 129.37 48.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' GLY . 37.8 t -45.13 150.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -152.42 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.401 ' N ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.5 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 mmm -65.87 -35.36 80.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.3 mt-10 57.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' CE1' HG22 ' A' ' 95' ' ' VAL . 9.4 m-85 -109.9 129.98 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.2 p -80.89 158.49 25.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -27.11 19.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 2.4 mt-10 -72.82 -47.32 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -73.93 -41.87 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.41 -34.95 71.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 t -69.58 -6.96 34.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 1.2 mt-30 -103.13 16.9 25.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 48.0 m-85 -140.96 56.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.515 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.49 4.32 30.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 76.18 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.09 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -62.34 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -53.11 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.09 23.81 11.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.955 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -61.59 134.14 93.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.99 162.23 37.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 2.2 mp -104.15 121.6 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.593 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 22.6 m-85 -129.62 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.69 HG22 ' CE1' ' A' ' 38' ' ' TYR . 14.2 t -121.21 152.16 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -108.46 136.34 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.494 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -140.39 112.43 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 5.0 mmmt 57.58 19.91 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.59 15.24 38.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.527 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -112.06 128.08 56.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.448 HG22 ' CG2' ' A' ' 98' ' ' VAL . 88.4 t -84.04 123.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m-85 -120.29 153.65 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -104.26 125.63 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.731 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 20.2 m -123.91 11.03 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -52.57 -27.58 17.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -9.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.96 46.12 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 39' ' ' GLY . 2.9 ptmt -51.09 -24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -17.74 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 43' ' ' ASP . 96.8 m-85 -108.42 -43.15 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -92.59 -39.29 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.18 176.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -36.88 133.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.3 80.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -141.68 179.29 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -45.23 -50.15 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.7 m-85 -100.86 59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.2 t -73.87 -32.74 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.15 -28.11 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.5 m-30 -78.54 -36.36 44.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.515 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.9 121.78 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.11 32.8 85.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 12.7 mttt -157.04 152.0 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.666 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 54.3 t0 -86.86 87.74 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.742 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -83.23 51.55 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 p -74.77 -48.05 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' CD ' HD21 ' A' ' 73' ' ' LEU . 6.6 mtm180 -68.1 -45.68 73.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.28 -36.88 76.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 8.2 mt -70.76 -40.37 72.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 77' ' ' GLU . . . -59.84 -76.54 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.105 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.6 OUTLIER -61.32 -21.63 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.495 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 68.94 45.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -97.06 -37.28 10.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 47' ' ' PHE . 2.9 mtmm 76.06 12.85 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.85 137.04 57.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' O ' HG11 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -66.65 -21.98 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.1 -20.45 22.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.8 m-20 -69.58 -46.01 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.569 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -49.97 118.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' NE ' ' A' ' 54' ' ' ARG . 9.7 p -130.27 126.29 22.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.666 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 5.66 3.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.43 155.45 44.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.87 50.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.57 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.85 -27.46 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.723 ' HB3' ' OE2' ' A' ' 77' ' ' GLU . 3.4 mm? -45.05 101.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.716 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 30.4 p -82.6 -174.91 5.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.525 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -67.63 -45.16 76.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 3.6 ptpt -52.04 -48.46 64.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.732 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pp20? -75.38 -40.26 58.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -50.56 -25.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -86.13 -43.91 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 17.9 m -79.23 -47.4 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -56.54 -55.66 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.9 m-80 -47.76 -56.36 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -34.06 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.87 -37.33 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.007 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.53 -44.29 96.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -63.58 -32.79 74.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.573 ' HD3' ' CE3' ' A' ' 84' ' ' TRP . 6.2 mtpt -73.57 -43.13 60.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' TYR . 2.2 m-85 -77.21 -36.95 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 5.9 mm-40 -72.53 -30.58 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -97.5 23.9 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 21.8 mttm -150.71 -67.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.579 ' CE2' HG11 ' A' ' 31' ' ' VAL . 16.4 m-85 -79.79 133.66 58.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 145.46 31.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.425 HG21 ' CE1' ' A' ' 29' ' ' PHE . 34.6 t -91.9 108.51 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.509 HG23 ' CD1' ' A' ' 21' ' ' TYR . 2.5 m -85.23 -3.46 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 155.48 -174.65 33.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -122.11 135.67 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.484 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 22.3 t -56.81 128.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -55.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo -75.06 -160.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' GLU . 12.3 mtt -74.32 -33.63 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' HG2' ' NE ' ' A' ' 97' ' ' ARG . 1.4 mp0 54.96 109.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 25.6 m-85 -108.32 128.48 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 p -79.68 155.26 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.68 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.5 -46.04 56.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.548 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.0 tm0? -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' CD2' ' HA2' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -58.35 -43.0 88.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 76.8 p -58.17 -14.91 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 8.0 mm100 -70.6 -12.51 61.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 21.5 m-85 -132.58 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 1.7 p-10 -93.39 22.96 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.96 105.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 174.68 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.496 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 14.5 m-20 -83.3 -175.5 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -98.21 -82.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -42.25 85.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.585 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -49.01 123.07 12.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.605 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.05 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 4.8 mt -125.19 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 23.0 m-30 -127.76 134.76 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.593 HG21 ' CE1' ' A' ' 38' ' ' TYR . 15.4 t -113.33 150.1 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' ASP . . . -108.27 132.22 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.563 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 82.9 mt -147.2 115.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 0.7 OUTLIER 68.51 12.81 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.65 13.58 50.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.4 ttm-85 -114.33 133.75 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.509 ' H ' ' HA ' ' A' ' 97' ' ' ARG . 54.0 t -87.73 121.6 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' HG21 ' A' ' 94' ' ' VAL . 57.4 m-85 -115.37 151.16 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.664 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.24 127.77 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.816 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 32.6 m -129.45 5.52 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.547 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.44 -22.47 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.2 p -53.94 -9.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -149.23 53.19 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -49.84 -24.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -16.34 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.627 ' O ' ' N ' ' A' ' 43' ' ' ASP . 38.3 m-85 -107.56 -32.39 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.816 ' CD2' ' CG2' ' A' ' 31' ' ' VAL . 5.3 m-85 -106.38 -40.1 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.37 172.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 t -33.3 136.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 38.26 54.27 2.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -106.14 168.3 14.86 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.2 m-20 -39.55 -56.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.637 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 4.0 m-85 -92.21 37.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLY . 62.5 p -52.04 -23.73 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -85.35 -32.14 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.637 ' CD2' ' HB3' ' A' ' 44' ' ' TYR . 6.8 m-30 -78.39 -34.97 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.1 113.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . 60.08 38.7 94.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 1.5 mtpm? -156.31 143.02 18.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.607 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 5.9 t0 -84.07 101.33 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.591 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -93.52 59.57 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 14.9 m -74.08 -53.91 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.62 -36.56 78.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.523 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -68.23 -38.0 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.594 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 25.7 mt -71.29 -46.87 59.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -50.87 -74.15 0.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.7 OUTLIER -64.27 -20.23 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 5.9 mtp 67.35 50.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.89 -32.33 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' ' CE1' ' A' ' 47' ' ' PHE . 0.9 OUTLIER 72.28 4.75 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 64' ' ' GLU . 8.9 t-20 -57.36 136.82 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.48 59.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.513 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -91.13 -22.42 20.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.531 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-20 -81.41 4.36 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.7 t -91.08 96.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 4.2 p -123.74 123.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.607 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.25 109.73 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' A' ' 71' ' ' GLU . 20.3 mt -37.52 -48.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 41.7 mt-10 -2.06 81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 127.88 -34.05 3.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -49.2 110.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.528 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 7.6 t -80.58 -169.16 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.476 ' N ' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -68.52 -40.83 80.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.01 -52.82 48.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.781 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.5 pm0 -75.48 -43.83 47.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -53.75 -47.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -51.08 -53.86 30.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 84' ' ' TRP . 52.7 m -78.75 -46.82 18.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.781 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -56.67 -57.1 13.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 78' ' ' ILE . 8.5 t-20 -55.68 -50.81 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.455 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 5.9 t0 -63.49 -31.69 72.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.594 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 3.2 m95 -58.98 -41.85 88.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 86' ' ' THR . 0.9 OUTLIER -61.9 -45.31 94.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -64.66 -34.3 77.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' OD1' ' A' ' 83' ' ' ASP . 36.6 mtpt -74.38 -42.47 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD2' ' CD1' ' A' ' 24' ' ' ILE . 1.5 m-85 -73.36 -42.75 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.78 -18.62 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -92.71 -10.65 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -120.13 -71.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.664 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 11.8 m-85 -65.46 141.05 97.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HG2' ' HB3' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.05 138.2 22.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.592 HG21 ' CD1' ' A' ' 29' ' ' PHE . 32.9 t -91.61 110.02 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.54 -9.61 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.9 177.41 38.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -121.71 131.71 54.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' GLY . 51.5 t -49.69 146.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.23 -48.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' GLU . 36.8 mtp -78.38 -28.2 46.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.9 mt-10 49.33 99.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' A' ' 97' ' ' ARG . 80.4 m-85 -107.18 134.19 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 p -80.14 151.69 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 -30.49 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 13.2 mt-10 -66.99 -48.27 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 2.1 mp0 -75.19 -43.32 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -36.62 77.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 t -67.04 -8.59 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 11.8 mm100 -84.89 -27.14 26.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.623 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -105.93 53.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -88.91 13.49 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 65.64 89.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.41 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.431 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -67.99 -157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.62 -61.3 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LYS . 5.6 m -83.23 -48.07 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -38.65 119.37 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.99 -164.32 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.488 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.2 mt -124.4 103.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.611 ' CE2' HG23 ' A' ' 95' ' ' VAL . 10.8 m-30 -120.45 139.84 52.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.697 HG23 ' CE1' ' A' ' 38' ' ' TYR . 61.9 t -112.89 165.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' N ' HG13 ' A' ' 22' ' ' VAL . . . -130.62 130.45 43.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.496 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 2.0 mt -142.74 109.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 6.1 mtpp 70.4 13.03 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.489 ' C ' ' HB ' ' A' ' 98' ' ' VAL . . . 97.55 12.73 46.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -108.78 125.92 52.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 17.4 t -81.15 121.98 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.6 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 47.9 m-85 -116.85 153.53 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.632 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -100.09 123.28 44.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.745 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 9.0 m -123.25 5.57 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.562 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.41 -25.31 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -55.43 -9.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.06 49.3 0.52 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.03 -23.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -17.59 26.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' ASP . 60.7 m-85 -108.19 -41.6 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.869 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -96.56 -36.72 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.68 -179.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.0 t -33.71 125.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.64 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -144.01 -175.43 17.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -47.09 -47.25 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.869 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 7.1 m-85 -101.15 57.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -73.06 -32.04 64.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -29.94 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HB2' ' HB3' ' A' ' 44' ' ' TYR . 15.9 m-30 -77.76 -36.66 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' ASN . . . -47.06 127.91 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 51.81 34.55 37.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 11.3 mttm -157.04 149.61 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.71 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 28.7 t0 -86.48 124.4 32.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -115.71 54.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -75.01 -56.33 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.666 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.1 -34.45 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.536 ' HB3' ' OD2' ' A' ' 65' ' ' ASP . . . -59.88 -46.07 90.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.612 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 3.2 mp -62.69 -44.95 94.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.593 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.33 -76.07 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' CE ' ' HD3' ' A' ' 54' ' ' ARG . 17.5 mttm -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 79.9 mtp 67.63 54.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -109.45 -21.07 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.94 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 54.45 18.75 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.626 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.0 m120 -62.17 155.77 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.65 -21.14 45.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.1 -35.24 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.666 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 43.3 p30 -56.71 -24.07 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.626 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 52.8 t -48.02 104.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -116.39 108.9 44.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.71 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.2 2.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 67' ' ' SER . 0.3 OUTLIER -154.17 135.76 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD11 ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -79.24 52.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -101.41 55.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.56 -26.19 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -40.39 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.54 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 27.0 p -77.69 -172.35 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.27 -43.11 78.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.94 -51.29 58.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.775 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pm0 -76.69 -41.65 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.54 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -52.16 -28.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.18 -47.44 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 56' ' ' LEU . 56.7 m -74.42 -46.77 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.775 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -58.33 -56.37 22.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -46.8 -49.04 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -61.41 -38.97 89.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.612 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.0 m95 -61.92 -35.98 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -63.53 -50.69 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.602 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 m -60.56 -30.37 69.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.2 mtpm? -75.72 -40.44 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' CD2' ' HD2' ' A' ' 92' ' ' TYR . 1.2 m-85 -81.25 -42.78 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.6 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.91 -35.49 76.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -91.61 30.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 73.3 mttt -152.3 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.632 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 16.3 m-85 -91.18 133.83 31.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.01 137.07 21.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.3 t -84.08 106.69 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.611 HG23 ' CE2' ' A' ' 21' ' ' TYR . 28.3 m -82.25 -33.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.452 ' C ' ' HB ' ' A' ' 28' ' ' VAL . . . -156.83 -158.89 9.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -136.15 146.99 47.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.489 ' HB ' ' C ' ' A' ' 26' ' ' GLY . 23.5 t -85.26 135.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.38 -88.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -160.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -73.93 -34.0 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 59.39 107.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.604 ' CZ ' ' SD ' ' A' ' 1' ' ' MET . 91.3 m-85 -109.35 127.4 54.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.8 p -78.99 163.37 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.73 -30.82 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.85 -47.04 61.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.772 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.7 mt-30 -72.57 -33.49 66.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -77.3 -23.72 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 18.8 t -80.36 -3.89 51.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.0 pt20 -113.14 24.99 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.772 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.3 m-85 -142.08 51.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.8 p-10 -109.35 15.73 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 102.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.45 -46.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.78 21.62 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -53.29 133.3 52.1 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 155.3 43.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 35' ' ' LYS . 1.9 mp -93.74 117.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.173 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.402 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 16.0 m-30 -129.35 128.57 43.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 38' ' ' TYR . 14.5 t -106.91 177.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' H ' ' CG1' ' A' ' 22' ' ' VAL . . . -138.02 135.33 35.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 88' ' ' PHE . 8.0 mt -147.26 109.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 4.2 mmmt 72.4 14.02 5.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.526 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 95.94 8.67 57.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 3.1 ttm180 -107.39 128.73 54.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.532 ' CG2' ' CG2' ' A' ' 98' ' ' VAL . 10.0 t -84.44 121.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.596 ' CE1' HG21 ' A' ' 94' ' ' VAL . 47.1 m-85 -114.93 161.02 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.628 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -103.88 127.31 51.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.771 ' CG2' ' CD2' ' A' ' 38' ' ' TYR . 12.1 m -127.7 4.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -51.79 -23.76 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -54.79 -10.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.45 47.84 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' GLY . 25.7 pttt -49.5 -24.09 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -57.92 -18.7 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' ASP . 24.9 m-85 -109.09 -44.91 3.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -90.39 -38.35 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.933 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -76.73 165.59 53.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLY . 30.1 t 38.56 50.45 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 35.51 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -128.61 -143.1 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -38.38 -44.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.2 m-85 -115.26 53.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 p -69.39 -32.04 70.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.71 -28.94 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.8 m-30 -81.32 -36.22 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 119.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.505 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 59.26 37.34 91.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.537 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 12.2 mtpt -156.22 148.67 23.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.627 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 39.0 t0 -85.97 87.65 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.716 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -81.19 53.92 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 6.0 p -77.36 -47.7 19.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 67' ' ' SER . 6.9 mtp180 -66.34 -44.48 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' MET . . . -59.24 -42.7 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 6.8 mp -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -58.86 -75.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.57 -26.5 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.524 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 13.2 mtp 68.26 47.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -108.73 -15.28 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 60' ' ' SER . 0.6 OUTLIER 52.69 19.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.1 m120 -67.38 140.0 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -68.53 -21.05 64.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.97 -21.55 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 5.7 m-20 -73.05 -46.4 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.537 ' CG2' ' HB3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -52.13 119.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -136.63 135.23 20.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.627 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.26 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.632 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 69.9 mt -26.64 -55.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.19 -156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.68 47.54 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.632 ' CD2' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -59.49 114.83 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.492 ' CG2' ' HG2' ' A' ' 77' ' ' GLU . 6.3 t -74.92 -174.49 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.508 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -67.68 -43.59 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 5.9 ptpt -51.21 -47.95 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.799 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -80.26 -43.09 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -52.33 -29.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -88.94 -44.27 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.434 HG21 ' SD ' ' A' ' 59' ' ' MET . 63.5 m -76.25 -48.55 19.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.799 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -57.68 -59.76 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 2.9 m-20 -50.52 -40.82 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -66.4 -38.53 87.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.583 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 7.9 m95 -59.33 -38.05 79.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 10.8 tt0 -63.1 -46.35 87.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.535 ' C ' ' OE1' ' A' ' 89' ' ' GLU . 1.5 m -62.33 -25.02 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 1.8 mttm -85.98 -37.68 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.562 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -77.75 -46.63 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.616 ' OE1' ' N ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -69.57 -19.17 63.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.616 ' N ' ' OE1' ' A' ' 89' ' ' GLU . . . -104.49 25.42 10.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -152.11 -46.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 15.8 m-85 -96.76 136.55 21.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.88 24.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.596 HG21 ' CE1' ' A' ' 29' ' ' PHE . 59.0 t -87.68 109.46 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.2 m -88.05 -18.75 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -175.62 -177.01 44.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -127.16 126.45 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.532 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 71.6 t -58.14 150.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 -49.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 0' ' ' PRO . . . . . 0.555 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 6.4 mtt -73.06 -33.21 65.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.3 mt-10 53.51 107.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.786 ' HB2' HG21 ' A' ' 28' ' ' VAL . 72.7 m-85 -108.45 130.69 55.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.7 p -74.83 154.0 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -30.74 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -69.45 -47.32 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.534 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.6 -40.88 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.107 HD13 HG22 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -61.72 -29.33 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -77.97 4.58 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 32.4 mt-30 -100.11 12.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 42.6 m-85 -137.04 41.13 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.602 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -84.47 5.66 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 83.45 101.3 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.713 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.2 mp -123.75 119.08 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.0 m-30 -124.05 132.39 53.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.96 HG11 ' OH ' ' A' ' 38' ' ' TYR . 5.1 t -112.5 149.88 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -107.72 134.73 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.71 HG22 ' HD3' ' A' ' 25' ' ' LYS . 8.3 mt -141.71 110.35 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.713 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.9 OUTLIER 64.99 15.25 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.64 17.22 29.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.854 HH11 HG11 ' A' ' 94' ' ' VAL . 2.5 ttm-85 -116.42 126.58 53.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.107 HG22 HD13 ' A' ' 8' ' ' LEU . 42.3 t -82.58 122.25 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CD1' HG22 ' A' ' 94' ' ' VAL . 30.5 m-85 -115.16 158.43 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.621 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -104.01 124.88 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.102 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.1 m -127.63 6.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.551 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.93 -24.49 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.0 p -56.4 -9.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.49 47.29 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -50.4 -22.83 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.69 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 73.1 m-85 -108.22 -44.12 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.102 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -91.97 -38.04 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.83 168.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -35.89 124.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.961 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.05 87.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.5 -176.87 25.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -41.84 -49.9 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.0 m-85 -104.57 59.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -74.72 -31.9 61.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -23.21 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.759 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 13.4 m-30 -84.91 -32.82 22.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.602 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -53.19 123.91 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 60.91 30.43 73.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 8.4 mttt -157.6 149.91 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.772 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 22.2 t0 -87.15 111.24 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.759 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -100.59 52.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.516 ' HA ' HD23 ' A' ' 81' ' ' LEU . 5.9 p -73.39 -53.43 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 2.4 mtp180 -68.2 -44.61 75.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.487 ' CA ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.76 -36.72 77.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 52' ' ' ALA . 16.5 mt -70.71 -43.07 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -54.23 -75.22 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -63.44 -21.83 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 2.1 mtp 68.89 50.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -28.89 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 47' ' ' PHE . 13.1 mttt 66.63 19.22 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.64 ' O ' HG23 ' A' ' 66' ' ' VAL . 4.8 m120 -64.52 146.93 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.26 -23.22 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 18.1 m-20 -75.22 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 62' ' ' ASN . 2.9 t -83.76 89.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 4.1 t -113.82 131.45 23.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.772 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 10.66 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.86 143.2 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -89.43 36.19 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.02 53.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.12 -26.14 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -41.47 110.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.867 HG23 ' OE2' ' A' ' 77' ' ' GLU . 28.5 p -76.93 -171.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.37 -41.36 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 8.7 ptpt -53.02 -52.01 59.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.867 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.8 pm0 -74.99 -41.09 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -55.79 -49.2 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.44 -50.01 60.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.896 HG22 ' CD1' ' A' ' 84' ' ' TRP . 72.7 m -79.39 -46.84 16.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.808 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -57.9 -56.4 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' ILE . 7.2 t-20 -51.67 -42.93 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -31.73 64.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.896 ' CD1' HG22 ' A' ' 80' ' ' THR . 7.3 m95 -60.13 -32.73 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -62.17 -46.36 89.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.62 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -64.54 -36.7 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.5 mttm -66.26 -46.84 75.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.7 m-85 -79.56 -36.85 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 85' ' ' GLU . 7.8 tp10 -69.83 -38.26 76.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.59 31.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 39.5 mttt -153.89 -60.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.851 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.9 m-85 -87.13 138.37 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.94 139.74 24.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.854 HG11 HH11 ' A' ' 27' ' ' ARG . 74.8 t -93.28 109.44 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.7 m -89.5 -11.0 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 171.23 177.51 41.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.165 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.558 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.84 130.31 52.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.577 HG23 HG23 ' A' ' 28' ' ' VAL . 39.1 t -50.79 133.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -83.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 0' ' ' PRO . . . . . 0.55 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' GLU . 54.9 mtp -71.07 -35.41 71.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' MET . 7.5 mt-10 55.36 110.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.809 ' HB2' HG21 ' A' ' 28' ' ' VAL . 26.7 m-85 -108.91 129.79 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -77.83 163.71 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.8 -35.85 61.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.57 -46.05 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.691 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.07 -31.12 64.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 HG22 ' A' ' 28' ' ' VAL . 3.3 tp -82.73 -24.23 33.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 81.6 p -87.45 22.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.603 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 7.5 pt20 -133.02 15.9 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.691 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 51.0 m-85 -138.93 60.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 13.5 p30 -113.63 17.76 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.12 47.57 23.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.397 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.649 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.677 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.9 mp -112.52 121.5 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.469 ' HB3' HG13 ' A' ' 28' ' ' VAL . 21.9 m-30 -128.53 129.17 45.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.868 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 12.4 t -109.68 155.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -111.67 143.58 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 56' ' ' LEU . 2.9 mt -149.24 111.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.998 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER 60.2 17.51 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.04 16.47 32.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -114.41 129.26 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 3' ' ' PHE . 55.6 t -86.49 122.12 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.609 ' CD1' HG22 ' A' ' 94' ' ' VAL . 41.1 m-85 -116.76 149.67 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.635 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -96.29 126.16 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.996 HG21 ' CD2' ' A' ' 38' ' ' TYR . 15.4 m -127.38 3.8 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.545 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -49.41 -25.77 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -8.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.01 47.7 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.1 pttt -49.5 -23.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 t -60.36 -17.83 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' O ' ' N ' ' A' ' 43' ' ' ASP . 32.0 m-85 -107.41 -43.76 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.996 ' CD2' HG21 ' A' ' 31' ' ' VAL . 1.5 m-85 -92.9 -38.08 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.92 177.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLY . 8.1 t -39.31 140.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.5 71.12 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -132.31 175.12 20.03 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 37' ' ' PHE . 4.4 m-20 -43.38 -50.28 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m-85 -102.47 61.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t -74.55 -33.05 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.1 -30.32 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.5 m-30 -77.78 -32.78 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.41 123.27 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 61.02 33.34 83.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.773 ' HB3' HG11 ' A' ' 66' ' ' VAL . 33.0 mtmt -161.57 152.01 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.815 ' O ' HG13 ' A' ' 66' ' ' VAL . 43.7 t0 -88.98 107.47 19.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.68 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -100.94 59.98 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -74.95 -54.05 7.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 5.4 mtm180 -61.37 -49.68 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.84 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 52' ' ' ALA . 17.1 mt -73.14 -42.74 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -59.88 -75.19 0.29 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -61.0 -20.81 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.8 OUTLIER 67.31 54.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -112.64 -44.09 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.84 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 10.7 mttp 86.83 18.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -57.5 147.51 26.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.96 -24.43 55.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -21.46 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.551 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 2.5 m-20 -65.27 -43.67 90.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 51' ' ' ASP . 58.5 t -35.64 109.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -121.39 109.62 34.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.714 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 7.79 2.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.65 156.31 40.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 25' ' ' LYS . 20.0 mt -79.94 49.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.06 70.62 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.95 -11.87 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 4.0 mm? -67.46 100.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.686 HG23 ' OE2' ' A' ' 77' ' ' GLU . 28.9 p -78.52 -175.46 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.491 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.7 OUTLIER -67.6 -42.02 83.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 2.7 ptpt -53.04 -52.61 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.759 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -75.13 -41.24 58.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -52.8 -47.88 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -48.08 -53.83 15.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.644 HG22 ' CD1' ' A' ' 84' ' ' TRP . 16.8 m -80.35 -46.7 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.998 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -56.47 -57.94 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.5 t-20 -51.53 -43.55 62.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.57 -30.36 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.644 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.74 -47.33 86.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.92 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -74.0 -43.97 56.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.9 OUTLIER -71.09 -43.25 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' CB ' ' HE1' ' A' ' 29' ' ' PHE . 1.4 pp20? -71.79 -20.18 61.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.84 -15.4 34.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.06 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.884 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.6 m-85 -69.69 138.78 88.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 135.22 18.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 29' ' ' PHE . 39.0 t -91.36 109.12 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.68 -14.32 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -177.77 42.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.577 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.75 134.32 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' GLY . 18.7 t -49.39 143.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -90.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.6 mtm -67.08 -31.96 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.6 mt-10 54.33 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.716 ' HB2' HG21 ' A' ' 28' ' ' VAL . 96.2 m-85 -108.84 129.15 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.4 p -77.98 157.48 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.18 -29.4 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -71.84 -47.09 55.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' A' ' 10' ' ' GLN . 1.1 mm-40 -73.42 -37.95 65.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.814 HD13 HG22 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -65.31 -28.67 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -77.77 2.4 17.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.432 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 20.8 mt-30 -99.93 2.51 43.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 49.4 m-85 -129.96 58.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.509 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -113.43 11.29 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.67 45.76 6.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.1 mp -122.11 121.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.3 m-30 -126.28 131.97 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.87 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 7.7 t -110.01 151.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -112.49 136.4 52.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.585 HG23 HD21 ' A' ' 81' ' ' LEU . 54.7 mt -144.81 111.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.9 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.4 OUTLIER 64.23 15.21 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.09 33.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.661 HH11 HG11 ' A' ' 94' ' ' VAL . 4.2 ttm-85 -112.64 129.16 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.814 HG22 HD13 ' A' ' 8' ' ' LEU . 24.5 t -87.23 123.18 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 94' ' ' VAL . 40.2 m-85 -119.08 150.34 40.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.63 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.53 127.24 43.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.061 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -130.86 7.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.577 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.08 -24.33 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 33' ' ' THR . 29.4 p -55.66 -8.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -155.29 48.65 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 10.1 pttt -49.88 -24.21 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -57.3 -17.96 14.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.4 m-85 -108.64 -42.87 4.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.061 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -95.78 -38.36 10.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -54.78 -116.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -57.59 -154.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 66.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -89.9 -137.62 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -101.87 -27.41 13.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.847 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.4 m-85 -110.38 44.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.9 74.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.59 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.96 -27.94 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 6.2 m-30 -80.53 -33.25 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 12' ' ' ASN . . . -50.54 133.21 25.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.76 37.05 20.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.675 ' HB3' HG11 ' A' ' 66' ' ' VAL . 17.2 mttp -160.21 153.41 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.817 ' O ' HG13 ' A' ' 66' ' ' VAL . 28.3 t0 -90.27 95.86 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.675 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -89.32 62.9 6.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.484 ' C ' HD11 ' A' ' 73' ' ' LEU . 2.6 p -74.46 -56.29 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.584 ' HG2' HD22 ' A' ' 73' ' ' LEU . 49.6 mtp180 -62.06 -47.27 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -58.43 -36.46 73.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.604 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 19.1 mt -72.01 -44.55 63.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.52 -78.5 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -18.75 21.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.423 ' HG2' HG21 ' A' ' 80' ' ' THR . 9.6 mtp 73.91 38.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -107.13 -172.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.31 25.03 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -62.56 139.21 58.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.77 -21.93 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.81 -20.86 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 2.0 m-20 -62.17 -47.41 84.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 51' ' ' ASP . 71.6 t -45.67 113.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.446 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -127.8 112.15 20.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.668 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.02 7.84 2.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -141.39 119.05 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 ' CB ' ' A' ' 25' ' ' LYS . 58.0 mt -36.98 -48.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.3 mt-10 -35.7 94.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 133.94 -33.74 2.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.619 HD13 ' OE1' ' A' ' 77' ' ' GLU . 2.3 mm? -63.0 113.25 2.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.486 HG23 ' OE2' ' A' ' 77' ' ' GLU . 43.8 p -82.94 -176.62 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.494 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -68.38 -40.62 81.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.9 ptpt -53.83 -49.08 69.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.1 pt-20 -78.67 -41.6 30.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -53.54 -46.92 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 2.2 m-20 -50.52 -50.78 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.609 HG22 ' CD1' ' A' ' 84' ' ' TRP . 19.5 m -81.24 -47.29 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.9 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -57.76 -59.62 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.6 t-20 -49.2 -40.33 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.68 -31.4 61.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.5 m95 -59.18 -41.05 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.981 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -60.28 -46.09 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -65.05 -34.87 79.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -74.12 -42.17 60.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.551 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.4 m-85 -73.3 -42.53 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -71.96 -20.09 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.23 -10.93 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 -68.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.818 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.2 m-85 -67.43 138.5 94.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.98 136.93 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.661 HG11 HH11 ' A' ' 27' ' ' ARG . 21.5 t -91.55 107.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 3' ' ' PHE . 29.5 m -83.43 -11.13 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 162.49 -172.91 38.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 1.5 ppt_? -120.59 141.32 50.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.619 HG21 ' CB ' ' A' ' 23' ' ' ALA . 10.0 t -58.23 127.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -111.25 -88.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLU . 38.7 mtm -64.58 -35.34 80.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 1.3 mt-10 57.14 114.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.746 ' HB2' HG21 ' A' ' 28' ' ' VAL . 72.8 m-85 -108.95 129.2 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -77.34 158.67 30.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.78 -33.57 49.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.58 -44.97 63.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.03 -42.91 65.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.572 HD13 HG22 ' A' ' 28' ' ' VAL . 2.6 tp -58.46 -37.7 76.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -65.75 -10.84 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 7' ' ' GLN . 9.3 mm100 -74.94 -19.9 59.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.537 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 9.5 m-85 -121.43 67.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.67 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.27 13.27 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.48 100.14 0.55 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.892 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.5 mp -125.96 124.11 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.544 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.7 m-30 -124.63 130.49 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.7 t -108.98 153.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -112.73 136.84 51.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.48 ' CD1' HD13 ' A' ' 56' ' ' LEU . 23.9 mt -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.836 ' HD3' HD11 ' A' ' 81' ' ' LEU . 11.1 mmmm 66.78 14.87 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.43 14.71 43.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -112.73 131.39 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.746 HG21 ' HB2' ' A' ' 3' ' ' PHE . 12.5 t -87.15 122.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CD1' HG22 ' A' ' 94' ' ' VAL . 40.5 m-85 -118.26 144.98 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.654 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -90.25 126.56 35.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.887 HG12 ' CD2' ' A' ' 92' ' ' TYR . 23.2 m -128.37 4.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.55 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.24 -22.93 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.8 p -54.8 -8.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -151.2 50.06 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLY . 14.6 pttt -49.21 -24.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.2 m-85 -107.91 -42.39 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.892 ' HB3' HG21 ' A' ' 20' ' ' ILE . 5.0 m-85 -92.88 -37.95 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.68 169.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.1 t -33.94 123.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.93 87.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -148.92 -176.02 21.89 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.38 -51.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.689 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 1.3 m-85 -110.71 63.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -28.04 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.74 -31.04 24.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.703 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.9 m-30 -75.3 -33.19 61.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -49.37 130.22 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.12 38.15 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.6 OUTLIER -163.09 153.06 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.8 ' O ' HG13 ' A' ' 66' ' ' VAL . 61.4 t0 -86.52 116.98 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.703 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -114.7 46.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -72.27 -41.17 67.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.565 ' HA ' HD21 ' A' ' 73' ' ' LEU . 5.2 mtm180 -66.78 -53.71 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 65' ' ' ASP . . . -60.83 -34.61 74.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 52' ' ' ALA . 9.6 mt -61.88 -43.56 98.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.6 -68.93 1.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -60.54 -25.15 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER 65.69 50.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -113.49 -23.57 9.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 63.55 12.88 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.5 m120 -50.33 148.58 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -24.74 59.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.36 -20.93 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -67.99 -43.72 78.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 51' ' ' ASP . 54.7 t -52.45 121.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.486 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 1.5 t -152.97 134.25 8.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.676 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.04 6.99 3.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.609 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -154.93 87.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.953 HD12 ' N ' ' A' ' 71' ' ' GLU . 3.6 pp -22.48 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.953 ' N ' HD12 ' A' ' 70' ' ' LEU . 9.3 mm-40 26.96 41.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 158.08 39.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.725 HD13 ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -93.07 107.62 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.846 HG23 ' OE2' ' A' ' 77' ' ' GLU . 24.8 p -74.15 -173.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.543 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -68.9 -43.16 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -52.97 -51.77 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.846 ' OE2' HG23 ' A' ' 74' ' ' THR . 2.3 pm0 -75.69 -38.63 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.549 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -52.62 -30.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -82.45 -51.88 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.687 HG22 ' CD1' ' A' ' 84' ' ' TRP . 32.1 m -69.97 -47.31 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.836 HD11 ' HD3' ' A' ' 25' ' ' LYS . 1.5 tm? -57.12 -54.54 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.7 m120 -50.45 -59.46 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -58.23 -33.27 69.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.687 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -59.39 -48.67 80.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -62.19 -47.5 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.0 mttm -73.39 -43.68 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.2 m-85 -70.43 -43.52 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.25 -18.77 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.59 -16.02 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -68.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.1 m-85 -69.6 138.65 88.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.07 138.84 23.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.594 HG22 ' CD1' ' A' ' 29' ' ' PHE . 34.7 t -91.36 109.57 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 28' ' ' VAL . 22.1 m -88.73 -5.8 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.86 -175.02 40.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 2.4 ppt_? -126.07 135.86 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.636 HG23 HG23 ' A' ' 28' ' ' VAL . 54.4 t -58.28 124.84 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -107.93 -53.22 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -65.26 -34.01 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.3 mt-10 58.04 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.707 ' HB2' HG21 ' A' ' 28' ' ' VAL . 67.6 m-85 -109.45 130.23 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.2 p -74.87 155.65 37.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 110.368 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.82 53.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -46.97 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -35.34 66.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.794 HD13 HG22 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -67.44 -32.42 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -72.42 -0.56 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.448 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.1 mt-30 -95.26 14.83 20.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 28.8 m-85 -137.18 38.59 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.697 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -88.97 15.81 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.26 108.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.1 mp -123.1 116.2 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.578 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.1 m-30 -126.94 133.58 50.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.904 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 8.4 t -112.88 149.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -108.46 134.25 51.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.614 HG22 ' HD3' ' A' ' 25' ' ' LYS . 12.7 mt -141.17 110.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.637 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.8 OUTLIER 65.23 16.16 10.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.95 14.56 39.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.76 HH11 HG11 ' A' ' 94' ' ' VAL . 2.4 ttm-85 -113.55 128.41 56.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.794 HG22 HD13 ' A' ' 8' ' ' LEU . 40.7 t -84.92 122.65 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 94' ' ' VAL . 40.9 m-85 -118.19 153.16 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.62 127.57 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.104 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.8 m -128.46 7.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.587 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.15 -25.9 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -8.96 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.58 48.07 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.13 -23.46 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.88 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.0 m-85 -107.94 -44.36 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.104 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -92.37 -38.15 12.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.94 172.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -36.02 127.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 41.42 88.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.23 -178.5 26.98 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -41.24 -51.48 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.835 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -103.11 59.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -33.31 62.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.12 -23.31 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.1 m-30 -84.8 -33.4 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 12' ' ' ASN . . . -51.16 126.59 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 57.18 34.23 66.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.767 ' HB3' HG11 ' A' ' 66' ' ' VAL . 8.1 mttm -162.17 151.06 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.85 ' O ' HG13 ' A' ' 66' ' ' VAL . 25.1 t0 -86.47 111.64 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.693 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -104.66 52.3 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.534 ' HA ' HD23 ' A' ' 81' ' ' LEU . 52.2 m -75.44 -46.99 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.631 ' HG2' HD11 ' A' ' 73' ' ' LEU . 6.8 mtm180 -67.48 -49.32 64.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.71 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.42 -34.43 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 52' ' ' ALA . 19.5 mt -70.99 -41.06 71.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.02 -77.74 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.513 ' CE ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.8 53.26 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -112.31 -18.46 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.71 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 9.1 ptpt 51.27 23.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 64' ' ' GLU . 2.6 t-20 -73.25 131.8 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -16.46 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -89.6 -22.13 22.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.1 m-20 -76.65 -37.03 56.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 51' ' ' ASP . 45.4 t -39.97 124.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.542 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 9.4 p -146.23 121.07 5.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.709 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 8.91 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.08 140.99 20.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -87.37 41.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.11 49.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.82 -24.87 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.631 HD11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -41.96 117.08 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.462 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 19.4 p -79.12 -176.76 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.45 -40.34 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.98 -48.0 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.811 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt-20 -80.08 -42.32 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -52.45 -48.48 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -54.58 -47.02 73.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.607 HG22 ' CD1' ' A' ' 84' ' ' TRP . 50.1 m -79.99 -48.28 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.811 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -58.76 -58.16 9.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.667 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.0 t-20 -51.84 -39.83 59.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -35.07 63.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -59.22 -32.59 70.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.986 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 5.7 tt0 -62.77 -50.67 70.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 m -60.6 -33.41 72.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 21.2 mttt -73.81 -40.89 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.05 -42.79 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.611 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -68.5 -34.24 75.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -89.32 29.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 15.7 mttt -154.03 -57.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.849 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.4 m-85 -85.83 138.58 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.97 136.81 20.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.76 HG11 HH11 ' A' ' 27' ' ' ARG . 20.4 t -89.03 110.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -90.64 -9.16 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 167.79 -177.63 42.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.563 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.89 133.62 53.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.619 HG21 ' CB ' ' A' ' 23' ' ' ALA . 37.3 t -55.58 122.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -104.94 -52.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt -66.57 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.2 mt-10 58.99 116.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.026 ' HB2' HG21 ' A' ' 28' ' ' VAL . 57.5 m-85 -111.53 130.21 55.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.9 p -77.16 154.99 32.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.66 47.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -71.59 -46.78 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -72.96 -38.5 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -29.25 70.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -77.48 3.48 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 24.6 mt-30 -100.01 10.89 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 33.7 m-85 -139.08 46.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.575 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 1.3 p-10 -92.05 10.85 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.45 100.86 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.4 mp -123.55 117.56 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.652 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 22.6 m-30 -126.51 139.34 53.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.875 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 57.6 t -117.99 170.85 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.583 ' N ' HG12 ' A' ' 22' ' ' VAL . . . -128.11 138.18 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.699 HD12 ' CD2' ' A' ' 88' ' ' PHE . 11.2 mt -151.71 114.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.704 ' HD3' HD11 ' A' ' 81' ' ' LEU . 0.4 OUTLIER 69.32 9.98 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.25 14.17 42.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -113.88 124.56 52.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.026 HG21 ' HB2' ' A' ' 3' ' ' PHE . 77.0 t -75.52 120.43 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.799 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 50.5 m-85 -117.96 145.65 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.652 ' OD1' ' CD1' ' A' ' 21' ' ' TYR . 4.1 m-20 -93.87 137.43 33.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.037 HG21 ' CD2' ' A' ' 38' ' ' TYR . 19.1 m -134.38 8.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.74 -26.9 10.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.3 p -56.57 -9.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' THR . . . -151.73 45.43 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -50.37 -23.15 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -18.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 12.6 m-85 -107.66 -45.92 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.037 ' CD2' HG21 ' A' ' 31' ' ' VAL . 1.1 m-85 -89.68 -38.42 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.7 172.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLY . 7.0 t -37.72 133.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.79 81.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.92 179.05 24.16 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -40.13 -51.55 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.768 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.2 m-85 -105.45 60.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -33.22 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.67 -30.82 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 5.3 m-30 -75.55 -33.83 60.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -50.07 126.31 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 62.1 32.7 83.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.676 ' HB3' HG21 ' A' ' 66' ' ' VAL . 9.5 mtmm -158.84 153.42 24.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.691 ' C ' HG23 ' A' ' 66' ' ' VAL . 49.2 t0 -88.16 83.75 6.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -78.39 54.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -74.64 -49.02 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.2 mtm180 -64.69 -45.15 87.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -59.71 -31.92 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' A' ' 24' ' ' ILE . 12.0 mt -71.27 -46.25 61.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG21 ' A' ' 80' ' ' THR . . . -55.24 -77.97 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.1 -17.04 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 mtp 71.99 38.18 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.81 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -108.6 144.57 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 46' ' ' MET . 12.8 mtmt -91.12 19.77 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.49 132.26 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -75.48 -19.25 59.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -21.72 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.1 m-20 -66.99 -48.05 69.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.691 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -49.7 124.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.463 ' OG ' ' CD ' ' A' ' 54' ' ' ARG . 52.6 p -144.76 132.13 10.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.95 7.18 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.572 1.827 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -148.85 108.72 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.722 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.676 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.2 mm-40 -6.81 81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 134.17 -37.16 2.0 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -42.62 112.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' OE2' ' A' ' 77' ' ' GLU . 7.8 p -74.09 -170.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.46 -43.39 69.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.0 -51.29 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pm0 -75.16 -42.22 56.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -51.35 -28.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -84.71 -45.83 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 57' ' ' GLY . 21.5 m -75.03 -46.96 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.19 -53.63 55.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.571 ' N ' HD13 ' A' ' 81' ' ' LEU . 2.4 m120 -47.76 -59.7 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -35.83 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.7 OUTLIER -59.07 -47.1 86.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 108.005 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.69 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -58.43 -48.27 81.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.2 m -63.61 -32.91 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 4.9 mtpt -76.67 -44.33 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.699 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -71.03 -43.12 68.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.799 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.89 -18.8 62.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -101.07 -13.83 18.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 2.7 mmtt -105.39 -57.17 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.762 ' CG ' HG12 ' A' ' 31' ' ' VAL . 13.4 m-85 -87.81 142.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 132.07 15.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.774 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -94.91 107.6 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.576 HG23 ' CE1' ' A' ' 3' ' ' PHE . 19.2 m -81.79 2.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.449 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 156.39 177.69 29.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 2.0 ppt_? -113.9 140.04 48.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 3.0 t -49.71 165.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.536 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.2 -76.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.9 mtp -67.12 -34.47 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.569 ' OE1' HG11 ' A' ' 99' ' ' VAL . 46.6 mt-10 54.93 117.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.725 ' HB2' HG21 ' A' ' 28' ' ' VAL . 96.1 m-85 -113.12 129.88 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 p -81.38 158.98 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.42 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.3 mt-10 -72.91 -47.93 41.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -73.78 -42.66 60.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.515 HD13 HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -58.06 -31.48 67.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -73.03 -7.01 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 4.1 mt-30 -102.76 14.01 33.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.597 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 59.3 m-85 -136.76 60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.1 p30 -112.4 8.55 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 70.08 98.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.868 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.6 mp -102.65 124.47 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HB3' HG13 ' A' ' 28' ' ' VAL . 21.5 m-85 -128.73 130.1 46.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.792 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 17.7 t -105.98 153.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -117.87 136.16 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 88' ' ' PHE . 2.1 mt -151.97 111.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 1.006 ' HD3' HD11 ' A' ' 81' ' ' LEU . 2.8 mmmp? 72.99 10.64 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.64 15.81 38.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.767 HH11 HG11 ' A' ' 94' ' ' VAL . 1.5 ttm-85 -113.49 131.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 24.5 t -87.96 123.84 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 46.8 m-85 -118.06 149.36 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.83 124.81 39.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.895 HG12 ' CE2' ' A' ' 92' ' ' TYR . 25.5 m -127.64 4.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.531 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.32 -22.78 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 33' ' ' THR . 29.8 p -54.71 -9.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -148.73 49.41 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.2 pttt -49.59 -24.44 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -18.42 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.1 m-85 -107.78 -38.97 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.868 ' HB3' HG21 ' A' ' 20' ' ' ILE . 4.1 m-85 -95.04 -38.87 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.56 171.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 t -34.24 120.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.82 94.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -155.82 -175.3 26.67 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.675 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -111.81 65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -31.96 68.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -81.98 -32.54 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.751 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 4.3 m-30 -72.12 -34.22 68.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.93 123.25 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 50.68 40.58 41.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.806 ' HB3' HG11 ' A' ' 66' ' ' VAL . 4.0 mtmt -161.52 155.21 21.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.882 ' O ' HG13 ' A' ' 66' ' ' VAL . 38.0 t0 -88.26 111.36 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.751 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -99.74 63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 m -75.17 -55.15 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.6 ' HG2' HD21 ' A' ' 73' ' ' LEU . 4.1 mmm180 -61.61 -46.08 91.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.492 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . . . -57.97 -46.73 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.722 HD23 ' HB3' ' A' ' 84' ' ' TRP . 3.7 mp -59.27 -50.95 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.628 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.17 -83.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -22.37 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.5 ' CG ' HG21 ' A' ' 80' ' ' THR . 11.3 mtp 74.78 36.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.04 -172.15 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.44 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -130.99 39.49 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -75.35 139.89 42.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -77.05 -22.49 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.45 -20.74 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.585 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 m-20 -59.2 -48.97 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 51' ' ' ASP . 52.7 t -34.31 105.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.425 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -119.23 107.08 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.665 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 144.34 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.554 HD11 ' NZ ' ' A' ' 25' ' ' LYS . 59.3 mt -73.93 55.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 15.0 pt-20 -108.97 54.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.61 -20.37 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.74 HD13 ' OE1' ' A' ' 77' ' ' GLU . 2.4 mm? -54.15 107.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' OE2' ' A' ' 77' ' ' GLU . 20.9 p -77.58 -179.35 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -65.94 -41.94 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -52.91 -49.92 64.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.755 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pt-20 -79.58 -40.8 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 74' ' ' THR . 1.0 OUTLIER -52.26 -29.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.63 -47.44 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.5 HG21 ' CG ' ' A' ' 59' ' ' MET . 27.5 m -76.76 -47.76 20.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.006 HD11 ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -55.3 -56.5 19.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.698 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.1 m120 -50.77 -37.26 41.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -35.57 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.722 ' HB3' HD23 ' A' ' 56' ' ' LEU . 16.8 m95 -59.88 -43.34 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -63.3 -45.05 93.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.62 -34.14 77.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.9 mttm -73.39 -42.9 61.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 24' ' ' ILE . 2.1 m-85 -68.91 -43.56 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.49 -19.36 61.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.27 -10.84 31.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -120.64 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.895 ' CE2' HG12 ' A' ' 31' ' ' VAL . 13.2 m-85 -64.13 142.15 98.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.01 138.52 23.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.767 HG11 HH11 ' A' ' 27' ' ' ARG . 23.5 t -93.26 109.83 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.717 HG23 ' CE1' ' A' ' 3' ' ' PHE . 29.7 m -88.66 -8.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.27 -175.18 41.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -123.98 141.13 52.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 28' ' ' VAL . 31.5 t -59.33 120.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG11 ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -103.75 -58.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mtt -69.92 -34.47 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 8.3 mt-10 56.39 112.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.917 ' HB2' HG21 ' A' ' 28' ' ' VAL . 68.7 m-85 -108.26 128.54 54.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 p -80.39 159.63 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.11 -29.3 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.4 -46.97 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.735 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -73.65 -33.15 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 10.5 tp -77.91 -24.35 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 5.6 m -80.08 -0.89 37.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.562 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.3 pt20 -116.37 20.48 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 23.5 m-85 -136.81 52.09 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.9 p30 -109.92 12.18 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.29 104.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 35' ' ' LYS . 1.3 mp -104.76 114.41 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 21.1 m-30 -130.69 134.92 47.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.867 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 13.6 t -113.75 167.75 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' ' CD2' ' A' ' 8' ' ' LEU . . . -124.8 141.47 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 88' ' ' PHE . 43.3 mt -152.48 113.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' CE ' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 68.13 14.3 9.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.34 12.0 55.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.63 HH11 HG11 ' A' ' 94' ' ' VAL . 2.5 ttm-85 -112.02 132.32 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.917 HG21 ' HB2' ' A' ' 3' ' ' PHE . 10.9 t -84.77 120.84 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.727 ' CD1' HG22 ' A' ' 94' ' ' VAL . 60.5 m-85 -117.49 141.82 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 4.2 m-20 -89.46 134.18 34.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.042 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -132.23 9.16 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.69 -26.31 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -9.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.94 46.18 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 13.2 pttt -50.11 -24.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -18.14 31.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 69.5 m-85 -107.21 -44.1 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.042 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -91.94 -39.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.46 173.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -38.53 128.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.046 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' ' OG ' ' A' ' 45' ' ' SER . . . 43.73 87.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -154.77 -179.25 29.85 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -40.12 -52.07 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.825 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.1 m-85 -105.95 61.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.402 ' OG ' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -74.1 -31.34 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -82.69 -31.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 5.7 m-30 -77.13 -34.77 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -43.46 126.35 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.36 36.47 46.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.598 ' HB3' HG11 ' A' ' 66' ' ' VAL . 5.8 mtpt -158.7 149.35 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.633 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 13.8 t0 -88.01 116.74 26.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -106.55 64.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.505 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 69.3 m -74.9 -54.95 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.79 -41.68 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.858 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -58.82 -43.14 90.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.925 HD23 ' HB3' ' A' ' 84' ' ' TRP . 5.2 mp -63.53 -47.7 80.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.684 ' O ' HG21 ' A' ' 80' ' ' THR . . . -51.76 -77.83 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HZ1' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -61.47 -19.27 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.1 mtt 75.77 39.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.858 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -114.97 165.64 12.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CE ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -107.94 13.62 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.425 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 4.9 t-20 -50.67 137.24 20.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -68.64 -17.26 64.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -89.4 -21.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.7 m-20 -72.16 -26.46 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 50' ' ' LYS . 69.8 t -66.01 80.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 27.6 p -113.57 117.43 44.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.633 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.03 9.0 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 142.29 21.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.01 HD23 HD13 ' A' ' 73' ' ' LEU . 6.8 mt -70.63 53.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.6 51.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.31 0.82 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.01 HD13 HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -50.22 109.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.692 HG23 ' OE2' ' A' ' 77' ' ' GLU . 16.4 p -72.97 -169.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.64 -44.34 67.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.59 -50.45 60.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.794 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pm0 -74.79 -44.36 49.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.28 -29.84 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -84.92 -46.93 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.684 HG21 ' O ' ' A' ' 57' ' ' GLY . 20.7 m -74.67 -47.6 30.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.794 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.11 -56.54 20.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.4 m-20 -51.18 -34.58 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -34.57 59.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.925 ' HB3' HD23 ' A' ' 56' ' ' LEU . 11.8 m95 -60.38 -31.08 70.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -66.21 -49.61 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.831 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.3 m -60.68 -31.73 70.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.3 mtpt -75.14 -40.62 59.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -81.24 -44.61 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.646 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 5.6 tp10 -66.8 -33.77 76.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -96.14 34.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 90' ' ' ALA . 35.8 mttm -157.65 -56.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.736 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.0 m-85 -86.98 142.25 33.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 135.04 18.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 ' CD1' ' A' ' 29' ' ' PHE . 66.5 t -90.52 109.36 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.75 HG23 ' CE1' ' A' ' 3' ' ' PHE . 14.8 m -88.07 -13.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 173.06 -176.96 45.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.492 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -124.4 136.98 54.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.587 HG23 HG23 ' A' ' 28' ' ' VAL . 53.4 t -58.21 131.13 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.31 -50.19 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 0' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 96' ' ' GLY . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.5 mmm -63.63 -35.73 81.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 3.3 mt-10 54.87 110.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 95' ' ' VAL . 48.0 m-85 -109.26 129.96 55.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.823 HG22 HG23 ' A' ' 99' ' ' VAL . 36.6 p -84.18 162.76 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -54.07 -28.24 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 14.7 mp0 -71.28 -47.88 54.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.741 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -42.28 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.415 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 5.3 tp -66.46 -24.44 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 4.1 m -79.0 -6.46 56.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 10.2 pt20 -117.82 28.86 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 25.3 m-85 -145.37 55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.539 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 10.9 p30 -113.21 16.63 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.64 98.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.515 HD13 ' CB ' ' A' ' 35' ' ' LYS . 1.4 mp -97.96 117.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.14 129.7 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 20.2 t -106.53 174.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.641 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -133.89 143.64 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HD3' ' A' ' 25' ' ' LYS . 3.3 mt -148.1 112.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.834 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.1 mtpp 59.94 17.58 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.42 16.16 35.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -112.01 126.63 55.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 95.9 t -83.57 121.54 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.647 ' CE1' HG22 ' A' ' 94' ' ' VAL . 41.2 m-85 -117.49 153.11 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.25 127.33 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.006 HG21 ' CD2' ' A' ' 38' ' ' TYR . 8.0 m -129.95 5.21 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.54 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.55 -25.2 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -56.5 -8.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.83 46.51 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -50.3 -24.01 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -18.67 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 43' ' ' ASP . 12.5 m-85 -108.21 -44.17 4.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.006 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.49 -39.88 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.83 176.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.5 p -37.51 133.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 36.2 87.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -153.17 178.0 30.48 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.82 -53.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.787 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.2 m-85 -103.28 59.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.55 -31.91 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.21 -26.74 33.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.711 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.8 m-30 -82.38 -35.02 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -46.55 127.28 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 55.77 32.85 59.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.686 ' HB3' HG21 ' A' ' 66' ' ' VAL . 6.5 mtpt -156.8 152.47 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.68 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 55.8 t0 -88.22 92.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.777 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -85.0 51.1 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -75.35 -47.97 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.958 ' HG2' HD21 ' A' ' 73' ' ' LEU . 8.3 mtm180 -67.04 -48.84 67.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.61 -31.58 69.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 52' ' ' ALA . 10.2 mt -73.7 -42.18 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -60.27 -77.67 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -58.51 -22.16 54.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtt 67.97 53.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -109.2 -15.68 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 60' ' ' SER . 1.3 pttt 52.89 20.73 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.537 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.0 m120 -70.66 139.77 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.25 -20.48 63.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.57 -20.62 22.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 16.6 m-20 -73.14 -46.86 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.01 116.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.459 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -132.99 129.73 21.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.68 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.03 6.08 3.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 126.48 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -86.85 50.6 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 16.6 pt-20 -88.71 51.27 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 165.67 -25.55 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.958 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -35.19 117.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.625 HG22 ' HG2' ' A' ' 77' ' ' GLU . 4.9 t -89.43 -179.98 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.558 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.23 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 1.3 ptpt -51.15 -51.53 52.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.802 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 pt-20 -80.02 -41.78 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -52.67 -47.27 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -49.88 -53.56 25.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.847 HG22 ' CD1' ' A' ' 84' ' ' TRP . 26.0 m -79.51 -46.68 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.834 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -56.7 -59.07 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.0 t-20 -51.83 -51.79 54.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.89 -32.8 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.847 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -58.72 -38.23 77.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.77 -45.11 95.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -65.97 -34.65 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -73.37 -42.67 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.5 OUTLIER -72.9 -42.95 63.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.02 -19.55 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.27 -16.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -65.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.2 m-85 -73.02 137.95 79.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.0 134.61 18.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.647 HG22 ' CE1' ' A' ' 29' ' ' PHE . 21.5 t -85.7 108.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.88 HG23 ' CE1' ' A' ' 3' ' ' PHE . 32.5 m -85.54 -5.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 0' ' ' PRO . . . 151.93 -173.76 31.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -112.72 144.85 41.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' A' ' 23' ' ' ALA . 3.2 t -61.47 112.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.823 HG23 HG22 ' A' ' 4' ' ' THR . 11.1 m -107.91 103.89 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 2' ' ' GLU . 59.1 mmm -73.82 -34.57 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.5 mp0 53.9 109.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.86 ' HB2' HG21 ' A' ' 28' ' ' VAL . 94.4 m-85 -107.86 128.53 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.4 p -78.99 161.83 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.81 -33.63 56.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.11 -47.36 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.765 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -73.58 -33.83 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 28' ' ' VAL . 1.2 tp -77.42 -24.89 50.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 11.1 t -79.41 -1.11 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.2 pt20 -116.84 29.15 8.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.765 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.5 m-85 -145.79 58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.591 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 2.0 p30 -109.32 2.89 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 78.9 95.71 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.415 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.728 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.1 mp -100.9 122.39 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' HB3' HG13 ' A' ' 28' ' ' VAL . 19.1 m-30 -128.79 135.64 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.88 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 t -113.72 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -114.53 134.37 55.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.655 HG22 ' HD3' ' A' ' 25' ' ' LYS . 7.1 mt -146.16 110.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HD3' HG22 ' A' ' 24' ' ' ILE . 4.5 mtpp 70.41 12.93 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.03 17.11 33.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -115.06 129.98 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 8' ' ' LEU . 25.0 t -84.93 122.57 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 94' ' ' VAL . 44.0 m-85 -116.33 151.67 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.647 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.51 124.13 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.085 HG21 ' CD2' ' A' ' 38' ' ' TYR . 10.3 m -126.03 7.34 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.576 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -52.81 -25.63 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -54.49 -9.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.4 46.13 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -49.73 -23.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -17.91 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.3 m-85 -108.65 -42.62 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.085 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -93.09 -38.62 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.53 174.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' GLY . 28.9 t -37.87 129.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.15 83.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.64 -179.93 23.13 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -45.18 -50.45 11.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.8 m-85 -100.08 57.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -72.38 -32.1 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.99 -31.25 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 10.3 m-30 -77.14 -33.6 56.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -53.0 122.78 10.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.63 33.75 88.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB3' HG21 ' A' ' 66' ' ' VAL . 17.8 mttt -163.82 150.17 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 41.8 t0 -86.78 104.6 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.756 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -91.96 56.06 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.539 ' HB3' HD13 ' A' ' 81' ' ' LEU . 4.3 m -75.39 -56.87 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.65 ' HG2' HD21 ' A' ' 73' ' ' LEU . 1.8 mtm-85 -64.78 -42.29 95.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.703 HD22 ' CD2' ' A' ' 84' ' ' TRP . 15.0 mt -73.68 -47.78 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG21 ' A' ' 80' ' ' THR . . . -57.5 -69.95 1.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -62.92 -21.33 65.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 3.0 mtt 67.16 48.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.45 -28.47 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 20.8 mttt 61.83 28.33 17.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.515 ' O ' HG13 ' A' ' 66' ' ' VAL . 2.6 t-20 -87.28 133.31 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -17.39 62.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.0 -23.77 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 14.6 m-20 -76.23 -39.22 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -45.99 118.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.543 ' CB ' ' NH1' ' A' ' 54' ' ' ARG . 76.7 p -128.34 124.61 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.687 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 5.95 3.71 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 143.59 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.32 49.64 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.1 pt-20 -91.91 48.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 163.96 -23.24 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 77' ' ' GLU . 1.7 mm? -36.43 99.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.563 HG23 ' OE2' ' A' ' 77' ' ' GLU . 21.7 p -66.91 -172.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.98 -43.02 72.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 9.3 ptpt -52.57 -51.18 61.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.788 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pm0 -75.76 -39.59 56.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.551 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -52.23 -28.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -91.44 -42.25 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 57' ' ' GLY . 24.0 m -74.85 -42.66 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.788 ' N ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tp -61.62 -51.33 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -46.91 -60.03 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.703 ' CD2' HD22 ' A' ' 56' ' ' LEU . 1.2 m95 -59.24 -43.34 92.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.51 -50.59 70.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.8 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.7 m -58.99 -30.83 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 9.8 mttm -75.35 -42.31 54.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' CZ ' ' HE2' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.7 -42.75 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.99 -35.7 78.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.37 31.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 12.8 mttt -153.22 -52.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.85 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.3 m-85 -91.32 141.37 26.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.96 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.623 HG22 ' CD1' ' A' ' 29' ' ' PHE . 64.3 t -90.3 109.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.801 HG23 ' CE1' ' A' ' 3' ' ' PHE . 28.2 m -90.42 -12.01 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.96 -179.05 43.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -124.72 131.8 53.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.561 HG21 ' CB ' ' A' ' 23' ' ' ALA . 36.0 t -50.56 150.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -58.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.3 mtt -65.49 -35.21 80.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 2.1 mt-10 58.44 119.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.766 ' HB2' HG21 ' A' ' 28' ' ' VAL . 24.3 m-85 -110.34 130.02 55.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.434 HG22 HG23 ' A' ' 99' ' ' VAL . 69.7 p -79.33 154.69 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.68 -31.71 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.17 -46.34 56.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -73.39 -38.27 65.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.87 HD11 ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -60.77 -43.51 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.853 ' N ' HD13 ' A' ' 8' ' ' LEU . 9.1 t -57.55 -14.06 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 16.7 mt-30 -87.01 16.34 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 41.7 m-85 -147.19 56.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 3.5 p-10 -120.81 21.16 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.32 83.41 0.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.416 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.855 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.4 mp -116.45 125.07 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.557 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.1 m-30 -129.27 136.69 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.846 HG21 ' CE1' ' A' ' 38' ' ' TYR . 41.4 t -114.95 149.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -109.52 136.04 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.667 HD11 ' CD2' ' A' ' 88' ' ' PHE . 4.4 mt -150.1 112.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.751 ' HD3' HD11 ' A' ' 81' ' ' LEU . 11.1 mmmm 71.52 11.47 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 97.66 12.57 46.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 5.2 ttm180 -112.71 129.61 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.766 HG21 ' HB2' ' A' ' 3' ' ' PHE . 75.2 t -87.56 123.03 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 51.9 m-85 -115.66 156.9 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.686 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.58 128.07 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 38' ' ' TYR . 16.3 m -131.3 7.71 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.57 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.44 -25.49 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -9.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -150.06 47.85 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -48.39 -24.04 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -61.82 -17.2 55.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 25.3 m-85 -108.12 -43.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.981 ' CD2' HG21 ' A' ' 31' ' ' VAL . 2.7 m-85 -97.6 -36.29 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -56.77 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 p -58.66 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 40' ' ' SER . . . -64.66 66.15 0.07 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.19 -135.31 4.97 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -105.67 -25.55 12.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.813 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -111.49 37.6 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 p -58.8 -31.88 68.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.606 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.23 -30.3 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 4.8 m-30 -80.01 -32.88 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -43.04 115.35 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.87 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 61.95 37.79 94.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.803 ' HB3' HG21 ' A' ' 66' ' ' VAL . 10.8 mtpt -153.88 144.94 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.745 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 66.1 t0 -77.23 79.44 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.572 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . -75.69 58.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.7 m -73.05 -54.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.641 ' HG2' HD22 ' A' ' 73' ' ' LEU . 7.2 mtm180 -61.81 -47.1 86.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -59.73 -35.6 74.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.631 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 11.3 mt -71.61 -45.86 60.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -58.66 -78.8 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.09 -18.74 10.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 10.7 mtp 75.57 29.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.658 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -98.12 163.27 12.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.8 mtpm? -110.56 38.29 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -81.63 130.37 35.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -72.26 -20.3 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.48 -22.02 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' NE ' ' A' ' 54' ' ' ARG . 2.6 m-20 -64.95 -48.91 72.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -48.82 118.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 124.34 23.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.745 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 4.74 4.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.7 145.06 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.667 HD11 ' HE3' ' A' ' 25' ' ' LYS . 50.2 mt -77.28 51.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.87 51.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 74' ' ' THR . . . 163.94 -26.17 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.641 HD22 ' HG2' ' A' ' 54' ' ' ARG . 4.1 mm? -50.73 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.8 p -75.12 -177.48 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -66.06 -43.3 87.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 5.4 ptpt -52.6 -52.37 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.768 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -75.27 -40.66 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -54.05 -47.21 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 3.4 m-20 -50.4 -52.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.682 HG22 ' CD1' ' A' ' 84' ' ' TRP . 21.7 m -79.57 -46.55 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -57.42 -57.2 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.626 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -52.8 -39.27 62.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 1.7 m-20 -75.62 -29.42 59.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.682 ' CD1' HG22 ' A' ' 80' ' ' THR . 2.6 m95 -60.17 -42.47 95.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -60.9 -45.74 93.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -65.45 -35.17 80.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -73.87 -43.06 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.667 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.8 m-85 -71.66 -42.76 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.88 -19.7 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.39 -14.43 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -114.84 -70.39 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.898 ' CD2' HG12 ' A' ' 31' ' ' VAL . 10.0 m-85 -67.93 142.13 95.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HG2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -74.99 137.6 21.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 29' ' ' PHE . 39.9 t -88.42 108.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG11 ' CE1' ' A' ' 21' ' ' TYR . 27.5 m -85.78 -9.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 159.72 -179.98 34.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.684 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -117.24 134.29 54.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.556 HG21 ' HB1' ' A' ' 23' ' ' ALA . 7.0 t -46.6 163.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -149.48 -88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.431 ' H ' HG23 ' A' ' 99' ' ' VAL . 58.2 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.9 mtm -69.23 -36.33 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 12.9 mt-10 59.45 122.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.812 ' CE1' HG23 ' A' ' 95' ' ' VAL . 59.4 m-85 -109.74 128.9 55.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.1 p -78.24 155.44 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -52.14 -27.19 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.59 -48.05 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.715 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.77 -37.61 64.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 1.4 tp -72.55 -26.01 61.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 26.9 p -76.86 -5.25 47.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 11.7 pt20 -117.07 16.46 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.725 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 20.4 m-85 -131.21 64.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.7 p30 -123.92 13.15 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.29 98.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.725 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.051 -0.404 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -107.17 110.41 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 17.5 m-85 -129.79 136.01 49.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.021 HG11 ' CZ ' ' A' ' 38' ' ' TYR . 1.8 m -116.06 149.22 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.49 150.99 26.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.676 HD11 ' CD1' ' A' ' 56' ' ' LEU . 3.6 mt -154.84 109.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.976 ' CD ' HD11 ' A' ' 81' ' ' LEU . 2.5 mmmp? 65.12 18.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.8 13.66 49.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.585 HH11 HG11 ' A' ' 94' ' ' VAL . 1.2 ttm-85 -112.9 129.35 56.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.801 HG21 ' HB2' ' A' ' 3' ' ' PHE . 99.4 t -87.17 121.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 27' ' ' ARG . 39.4 m-85 -114.14 142.83 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.639 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -88.75 123.76 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.976 HG21 ' CG ' ' A' ' 38' ' ' TYR . 10.3 m -125.51 1.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.526 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -52.04 -25.37 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.96 -10.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.76 49.32 0.49 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.4 ptmt -49.14 -23.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -18.28 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 43' ' ' ASP . 87.0 m-85 -108.68 -43.58 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.021 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -92.07 -39.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.99 175.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -36.51 130.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.81 87.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -151.02 -179.65 26.94 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -41.24 -51.62 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.851 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.6 m-85 -103.97 58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -72.98 -28.66 62.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -84.3 -32.8 24.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.696 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 5.0 m-30 -75.53 -33.72 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -48.51 126.56 11.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.9 37.33 52.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 7.8 mtpt -161.29 150.53 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.723 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 29.2 t0 -80.81 102.79 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.675 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -91.56 52.5 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.88 -54.82 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.903 ' HG2' HD21 ' A' ' 73' ' ' LEU . 4.2 mtm180 -67.44 -40.32 85.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.795 ' HB2' ' OD1' ' A' ' 65' ' ' ASP . . . -59.11 -44.39 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.676 ' CD1' HD11 ' A' ' 24' ' ' ILE . 8.1 mt -71.73 -44.9 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -56.96 -74.15 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -60.92 -27.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 74.94 38.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -33.51 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.5 mttt 72.12 10.91 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.499 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.1 m120 -72.2 140.25 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -19.42 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.03 -18.32 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.795 ' OD1' ' HB2' ' A' ' 55' ' ' ALA . 1.3 p30 -81.96 -34.36 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.577 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -48.87 118.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 8.0 p -123.67 122.69 26.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.723 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.07 9.7 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.571 1.827 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.22 138.93 14.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.853 HD23 ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -76.95 52.54 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.11 13.86 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.14 28.74 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.903 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -90.07 121.49 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.607 HG22 ' HG2' ' A' ' 77' ' ' GLU . 4.7 t -86.96 -178.65 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.568 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -65.94 -41.46 91.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -50.65 -50.8 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.892 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.3 pt-20 -80.99 -42.81 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.568 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER -47.85 -27.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -86.8 -45.51 10.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.983 HG22 ' CD1' ' A' ' 84' ' ' TRP . 95.5 m -77.81 -45.55 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.976 HD11 ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.57 -57.19 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.568 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.6 m-80 -53.12 -47.53 68.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -67.35 -34.43 77.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.983 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.6 m95 -63.76 -39.27 93.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -62.06 -44.28 97.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.87 -33.47 76.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 2.1 mttt -73.43 -43.83 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -72.43 -41.74 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.87 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.37 -14.33 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -65.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.786 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.4 m-85 -74.69 140.4 74.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 134.46 17.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.585 HG11 HH11 ' A' ' 27' ' ' ARG . 47.2 t -89.25 107.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.812 HG23 ' CE1' ' A' ' 3' ' ' PHE . 33.0 m -85.52 -13.06 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 163.0 -179.44 38.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.526 ' NH2' HG12 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -114.45 140.68 48.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 2.5 t -47.58 165.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.527 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.48 -84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 56.0 mmm -64.95 -27.33 68.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.9 mt-10 55.96 111.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.66 ' HB2' HG21 ' A' ' 28' ' ' VAL . 66.6 m-85 -107.89 129.37 55.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.499 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 64.7 p -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.51 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 1.4 mt-10 -71.36 -47.23 57.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -74.88 -41.08 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.85 HD13 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -59.95 -36.27 76.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -68.85 -7.63 36.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 52.5 mm-40 -85.33 -27.86 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.655 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -102.64 65.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -111.5 11.17 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 66.96 91.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.3 mt -123.61 102.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 1.096 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 8.5 m-30 -120.14 134.38 55.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.973 HG11 ' OH ' ' A' ' 38' ' ' TYR . 9.8 t -114.06 148.68 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -109.18 131.29 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.574 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 3.9 mt -137.2 109.56 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 4.3 mtpp 68.56 12.69 8.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 100.06 13.94 35.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HD3' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -114.03 127.02 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.85 HG22 HD13 ' A' ' 8' ' ' LEU . 26.0 t -81.1 122.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 37.7 m-85 -115.27 159.06 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.567 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -101.81 125.36 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.034 HG21 ' CD2' ' A' ' 38' ' ' TYR . 5.1 m -127.73 6.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.567 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.52 -25.68 7.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 p -56.32 -9.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.9 45.74 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.6 pttt -49.44 -24.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.39 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 42.5 m-85 -107.72 -43.23 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.034 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -94.67 -39.02 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -48.25 178.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.2 p -37.81 132.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.84 82.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -142.46 177.91 21.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 48.8 m-20 -45.88 -50.95 13.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.837 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.4 m-85 -97.8 56.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 3.1 m -73.07 -33.51 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.537 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.53 -22.82 34.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.704 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.5 m-30 -84.23 -35.6 23.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.17 134.86 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 49.94 32.73 19.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.652 ' HB3' HG21 ' A' ' 66' ' ' VAL . 35.5 mtpt -157.23 152.19 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.697 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 62.7 t0 -90.43 94.14 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.952 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -84.83 49.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 p -75.48 -47.57 26.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 73' ' ' LEU . 4.8 mtm180 -63.85 -47.93 78.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -57.97 -41.05 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.952 HD13 ' O ' ' A' ' 52' ' ' ALA . 5.0 mp -57.65 -37.01 72.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.96 -81.45 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.3 OUTLIER -56.84 -26.09 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.669 ' SD ' HG21 ' A' ' 80' ' ' THR . 0.0 OUTLIER 68.93 50.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 -17.69 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 46' ' ' MET . 0.4 OUTLIER 60.21 14.4 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.575 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.0 m120 -61.85 139.89 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -72.08 -20.69 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -22.1 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 5.3 m-20 -72.19 -47.9 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.661 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -47.62 118.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -136.12 136.33 22.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.697 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 6.97 3.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.58 133.58 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.22 23.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.83 58.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.12 -26.79 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -46.85 111.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.847 HG23 ' OE2' ' A' ' 77' ' ' GLU . 27.9 p -78.31 -171.37 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.61 -42.75 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 4.8 ptpt -51.78 -51.93 52.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.847 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.3 pm0 -75.01 -41.14 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -56.47 -49.72 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -51.75 -47.61 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.669 HG21 ' SD ' ' A' ' 59' ' ' MET . 48.9 m -80.56 -49.94 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.39 -58.59 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -49.12 -35.41 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.18 -32.92 56.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.926 ' HB3' HD23 ' A' ' 56' ' ' LEU . 21.0 m95 -59.78 -30.68 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -65.07 -52.01 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.2 m -58.69 -30.22 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.592 ' HE2' ' CE3' ' A' ' 84' ' ' TRP . 10.5 mtpt -77.91 -40.85 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.613 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.0 OUTLIER -81.22 -39.39 25.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -70.7 -33.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -89.45 19.84 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 3.8 mttt -146.07 -61.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.903 ' CD2' HG12 ' A' ' 31' ' ' VAL . 18.1 m-85 -86.87 128.45 56.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.98 24.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.8 OUTLIER -93.14 109.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.096 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 32.3 m -89.53 2.91 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 169.49 173.44 37.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.672 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.91 127.32 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' GLY . 14.0 t -44.81 146.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -151.59 -52.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.522 ' N ' HG12 ' A' ' 99' ' ' VAL . 48.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmm -62.91 -38.25 90.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.2 mt-10 57.51 115.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.853 ' HB2' HG21 ' A' ' 28' ' ' VAL . 46.5 m-85 -109.32 130.64 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.433 ' HB ' ' C ' ' A' ' 100' ' ' SER . 41.7 p -76.41 154.77 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.44 -30.01 38.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.7 mt-10 -72.02 -46.12 58.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -73.2 -42.33 62.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.548 HD13 HG22 ' A' ' 28' ' ' VAL . 1.5 tp -58.43 -33.47 69.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -70.55 -7.13 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 8.4 mt-30 -99.21 6.59 46.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 71.6 m-85 -131.46 57.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 1.2 p-10 -107.11 11.36 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.59 95.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.0 mp -100.62 123.72 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HB3' HG13 ' A' ' 28' ' ' VAL . 20.7 m-30 -129.04 129.4 45.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.865 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 10.9 t -109.61 151.99 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -109.38 131.96 54.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD11 HD13 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -136.16 110.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.773 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.7 mtpm? 63.7 15.36 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.57 16.69 28.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.672 ' CD ' ' CZ ' ' A' ' 29' ' ' PHE . 14.2 ttm180 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.853 HG21 ' HB2' ' A' ' 3' ' ' PHE . 41.1 t -82.0 120.88 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.672 ' CZ ' ' CD ' ' A' ' 27' ' ' ARG . 31.8 m-85 -112.93 167.76 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -111.56 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.037 HG21 ' CD2' ' A' ' 38' ' ' TYR . 6.2 m -128.47 6.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.524 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.07 -23.88 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -54.71 -10.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.52 49.45 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -49.57 -27.47 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.546 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -59.39 -15.17 15.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CA ' ' HB2' ' A' ' 43' ' ' ASP . 13.7 m-85 -108.9 -43.2 4.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.037 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -96.0 -40.37 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -59.07 -104.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.41 74.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 36' ' ' SER . . . -148.93 -44.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.619 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . 129.12 131.87 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.626 ' HB2' ' CA ' ' A' ' 37' ' ' PHE . 1.3 m-20 145.07 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.903 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 8.2 m-85 -147.19 20.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -28.64 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.947 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.08 -26.02 34.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.758 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 11.7 m-30 -87.49 -34.63 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 127.97 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 58.24 30.99 65.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.8 mtpt -158.99 151.07 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.734 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 46.6 t0 -85.82 109.09 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -96.85 52.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -53.43 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.679 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.92 -45.01 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.72 -34.78 73.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 52' ' ' ALA . 15.4 mt -72.17 -47.08 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -60.33 -68.94 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 9.8 mttm -60.48 -26.59 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtp 67.67 48.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -22.55 12.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 60.38 20.14 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 24.5 t-20 -70.18 129.29 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -57.5 -18.87 21.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.31 -22.03 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 7.5 m-20 -75.75 -17.94 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -71.03 92.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 63.5 p -115.23 127.95 26.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.734 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 6.0 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.74 122.42 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -78.48 54.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.57 14.59 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.51 24.2 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.679 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -80.56 102.62 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.063 HG22 ' CD ' ' A' ' 77' ' ' GLU . 9.0 t -70.82 -170.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 1.3 mt-10 -69.44 -42.25 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.91 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 1.063 ' CD ' HG22 ' A' ' 74' ' ' THR . 1.9 pm0 -75.28 -44.09 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.21 -29.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -86.19 -46.68 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.705 HG22 ' CD1' ' A' ' 84' ' ' TRP . 22.1 m -75.89 -46.85 27.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.27 -56.02 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.558 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.8 m-20 -48.6 -54.72 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.705 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -59.83 -40.76 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 4.3 tt0 -60.99 -49.37 77.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 m -59.98 -32.96 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.1 mttm -76.48 -39.1 54.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -77.95 -40.11 40.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.91 -30.96 64.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -84.0 8.77 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -136.76 -62.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.914 ' CG ' HG12 ' A' ' 31' ' ' VAL . 22.3 m-85 -84.88 127.95 62.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 144.46 30.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -97.62 111.28 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.6 10.16 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 160.74 171.05 26.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -119.83 127.05 52.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.591 HG21 ' HB1' ' A' ' 23' ' ' ALA . 9.5 t -46.22 126.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -89.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.433 ' C ' ' HB ' ' A' ' 4' ' ' THR . 71.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 0' ' ' PRO . . . . . 0.543 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 47.3 mtp -72.31 -33.33 67.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.8 mt-10 52.49 105.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.829 ' HB2' HG21 ' A' ' 28' ' ' VAL . 65.4 m-85 -108.2 131.22 54.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -75.1 155.1 37.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.53 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 31.6 mt-10 -71.5 -46.6 59.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.593 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 58.2 mm-40 -72.95 -37.15 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.023 HD13 HG22 ' A' ' 28' ' ' VAL . 1.1 tp -65.78 -30.02 70.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -76.69 4.14 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 25.9 mt-30 -99.51 13.71 32.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 33.7 m-85 -139.33 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.585 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -89.77 16.39 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.11 103.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.9 mp -123.89 118.13 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.649 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.1 m-30 -124.7 138.2 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.961 HG11 ' OH ' ' A' ' 38' ' ' TYR . 4.1 t -116.84 149.89 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.26 132.3 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 ' CG2' ' HB2' ' A' ' 85' ' ' GLU . 4.8 mt -142.16 112.24 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.679 ' HE3' HD23 ' A' ' 70' ' ' LEU . 10.3 mmmm 67.11 13.4 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.13 33.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HD3' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -116.09 128.49 55.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.023 HG22 HD13 ' A' ' 8' ' ' LEU . 39.9 t -82.26 121.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 52.3 m-85 -116.79 146.27 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 1.9 m-20 -92.73 131.05 38.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.103 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.1 m -132.44 8.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -52.01 -24.41 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.448 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -56.6 -9.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.32 46.52 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -50.1 -23.46 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.88 -18.26 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 11.3 m-85 -108.18 -45.12 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.103 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -91.07 -37.57 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -43.27 169.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.9 t -36.08 126.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.8 87.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.84 -177.34 26.34 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -40.09 -50.72 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.823 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.9 m-85 -105.92 60.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -74.07 -32.56 63.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.95 -29.61 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.598 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 8.9 m-30 -78.36 -34.25 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -47.13 131.25 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 46.93 37.09 9.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.734 ' HB3' HG11 ' A' ' 66' ' ' VAL . 3.2 mtpm? -158.54 149.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.764 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.866 ' O ' HG13 ' A' ' 66' ' ' VAL . 13.2 t0 -88.1 119.9 28.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -109.97 60.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.43 ' HB3' HD22 ' A' ' 81' ' ' LEU . 1.2 m -74.03 -55.9 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.844 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -69.08 -40.58 78.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -60.41 -41.37 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 34.7 mt -70.02 -49.36 52.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.725 ' O ' HG21 ' A' ' 80' ' ' THR . . . -54.93 -75.16 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -21.03 56.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.8 mtp 74.99 45.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.756 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -124.08 143.71 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -90.69 20.88 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . 2.8 m120 -57.28 148.09 23.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.18 -24.14 51.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.67 -20.96 23.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 2.7 m-20 -68.88 -17.37 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 51' ' ' ASP . 21.8 t -80.95 98.73 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -120.9 125.16 27.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.791 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -74.98 6.23 3.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.511 1.796 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.12 140.14 22.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.679 HD23 ' HE3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -73.69 54.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.5 pt-20 -98.32 67.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.48 -8.99 2.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 54' ' ' ARG . 1.9 mm? -57.49 108.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 1.4 p -78.79 -169.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.15 -43.07 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.06 -51.24 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -76.72 -44.99 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.53 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.83 -30.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -83.69 -44.46 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.725 HG21 ' O ' ' A' ' 57' ' ' GLY . 19.9 m -75.89 -47.13 26.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -58.44 -54.9 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 4.3 m-20 -45.79 -52.36 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -63.72 -38.58 91.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -59.31 -45.08 92.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 6.7 tt0 -61.43 -49.2 77.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.7 m -60.22 -32.54 71.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 12.1 mttm -76.06 -39.75 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER -78.56 -40.5 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.74 -30.08 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -87.81 0.84 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -126.24 -68.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.897 ' CG ' HG12 ' A' ' 31' ' ' VAL . 14.2 m-85 -76.47 133.1 71.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.05 137.32 21.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -94.01 108.57 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.536 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 13.2 m -86.0 3.35 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 165.23 172.78 33.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.567 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.56 129.75 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.577 HG21 ' HB1' ' A' ' 23' ' ' ALA . 55.9 t -50.69 149.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 -51.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.618 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -90.1 34.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.4 mt-10 -17.86 121.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.834 ' HB2' HG21 ' A' ' 28' ' ' VAL . 29.4 m-85 -108.24 130.8 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 100' ' ' SER . 58.6 p -81.8 152.0 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.11 -28.81 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.26 -47.13 58.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.1 mp0 -74.15 -41.49 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.801 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.796 ' N ' HD13 ' A' ' 8' ' ' LEU . 43.4 t -58.25 -13.19 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 7.4 mm100 -77.5 -13.48 59.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 14.8 m-85 -128.95 68.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.439 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -119.74 21.78 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.66 ' O ' HG23 ' A' ' 14' ' ' THR . . . 80.58 86.66 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.4 mp -123.74 129.8 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.557 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.4 m-30 -127.38 138.79 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.964 HG11 ' OH ' ' A' ' 38' ' ' TYR . 6.2 t -118.25 147.44 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.631 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -107.66 137.58 45.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.633 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.8 mt -147.62 110.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.696 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.1 mtpm? 67.79 13.07 9.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.41 15.51 32.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 1.2 ttm180 -114.59 131.03 56.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' ' 3' ' ' PHE . 85.1 t -88.35 126.99 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' HG22 ' A' ' 94' ' ' VAL . 49.1 m-85 -121.43 151.87 39.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.62 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.34 126.13 42.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.076 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.2 m -128.73 5.81 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.573 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.03 -23.63 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 33' ' ' THR . 25.5 p -55.58 -9.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.5 48.12 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.3 pttt -49.28 -25.03 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -17.53 15.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.607 ' O ' ' N ' ' A' ' 43' ' ' ASP . 74.3 m-85 -109.08 -41.9 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.076 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -96.54 -37.64 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -53.22 -115.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.12 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.057 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 64.19 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.98 -139.8 7.21 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.6 m-20 -94.9 -32.13 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 m-85 -110.84 49.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 p -66.41 -31.64 72.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.532 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.88 -30.07 24.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.9 m-30 -72.65 -36.01 67.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -45.3 126.18 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.796 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 49.74 39.68 31.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' HG11 ' A' ' 66' ' ' VAL . 21.1 mtmt -156.86 139.64 15.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.734 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 11.9 t0 -77.04 112.86 14.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.717 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -104.96 58.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 73' ' ' LEU . 27.1 p -74.21 -54.03 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.7 mtm180 -67.49 -40.59 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -61.01 -45.19 95.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.943 HD23 ' HB3' ' A' ' 84' ' ' TRP . 5.1 mp -61.48 -48.83 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.597 ' O ' HG21 ' A' ' 80' ' ' THR . . . -52.3 -80.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG3' ' OE1' ' A' ' 77' ' ' GLU . 2.4 mttm -56.53 -20.94 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 mtp 74.25 42.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.6 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -115.04 168.84 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -110.5 17.76 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.6 146.3 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.22 -23.58 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -20.5 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 11.6 m-20 -68.54 -26.11 65.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -78.17 90.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 2.3 t -119.09 129.48 25.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.734 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.0 7.94 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -150.77 106.43 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.711 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -33.02 -48.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.69 ' C ' ' O ' ' A' ' 70' ' ' LEU . 16.4 mt-10 -0.81 77.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 138.63 -39.08 1.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -40.48 114.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.838 HG23 ' OE2' ' A' ' 77' ' ' GLU . 29.2 p -77.97 -170.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -69.2 -42.23 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.4 ptpt -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.838 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.8 pm0 -75.46 -42.11 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.98 -28.21 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -84.76 -47.31 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 57' ' ' GLY . 24.2 m -75.12 -46.96 31.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.759 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -55.97 -54.67 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.506 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.3 m120 -53.37 -37.82 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -71.39 -34.55 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.943 ' HB3' HD23 ' A' ' 56' ' ' LEU . 12.7 m95 -61.34 -38.43 86.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -67.53 -47.28 70.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -63.19 -33.7 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.5 mttt -73.72 -39.66 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.633 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.1 m-30 -75.8 -42.95 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.9 -19.46 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -90.5 -9.82 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -69.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.964 ' CD2' HG12 ' A' ' 31' ' ' VAL . 11.2 m-85 -67.2 138.89 94.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.01 139.49 24.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' CE1' ' A' ' 29' ' ' PHE . 35.3 t -91.84 109.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.9 m -88.13 -6.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.97 -176.94 38.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.617 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -126.96 129.37 48.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.631 HG21 ' HB1' ' A' ' 23' ' ' ALA . 37.8 t -45.13 150.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.439 HG21 ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -152.42 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 99' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 mmm -65.87 -35.36 80.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.3 mt-10 57.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.725 ' HB2' HG21 ' A' ' 28' ' ' VAL . 9.4 m-85 -109.9 129.98 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.562 HG22 HG23 ' A' ' 99' ' ' VAL . 38.2 p -80.89 158.49 25.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -27.11 19.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 2.4 mt-10 -72.82 -47.32 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -73.93 -41.87 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.41 -34.95 71.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 t -69.58 -6.96 34.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 3.8 mt-30 -103.13 16.9 25.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 48.0 m-85 -140.96 56.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.49 4.32 30.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 76.18 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.591 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.2 mp -104.15 121.6 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.933 ' CE1' HG11 ' A' ' 95' ' ' VAL . 22.6 m-85 -129.62 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.872 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 14.2 t -121.21 152.16 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.46 136.34 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.493 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -140.39 112.43 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.668 ' HD3' HD11 ' A' ' 81' ' ' LEU . 5.0 mmmt 57.58 19.91 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.59 15.24 38.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.527 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -112.06 128.08 56.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 88.4 t -84.04 123.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m-85 -120.29 153.65 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -104.26 125.63 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.114 HG21 ' CD2' ' A' ' 38' ' ' TYR . 20.2 m -123.91 11.03 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -52.57 -27.58 17.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -9.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.96 46.12 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 39' ' ' GLY . 2.9 ptmt -51.09 -24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -17.74 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 43' ' ' ASP . 96.8 m-85 -108.42 -43.15 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.114 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -92.59 -39.29 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.18 176.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -36.88 133.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.3 80.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -141.68 179.29 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -45.23 -50.15 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.7 m-85 -100.86 59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.2 t -73.87 -32.74 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.15 -28.11 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.5 m-30 -78.54 -36.36 44.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -47.9 121.78 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.11 32.8 85.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.789 ' HB3' HG21 ' A' ' 66' ' ' VAL . 12.7 mttt -157.04 152.0 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.734 ' C ' HG23 ' A' ' 66' ' ' VAL . 54.3 t0 -86.86 87.74 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.742 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -83.23 51.55 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 p -74.77 -48.05 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.543 ' HG2' HD21 ' A' ' 73' ' ' LEU . 6.6 mtm180 -68.1 -45.68 73.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.28 -36.88 76.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 8.2 mt -70.76 -40.37 72.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.718 ' O ' HG21 ' A' ' 80' ' ' THR . . . -59.84 -76.54 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.105 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.6 OUTLIER -61.32 -21.63 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.94 45.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -97.06 -37.28 10.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 2.9 mtmm 76.06 12.85 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.85 137.04 57.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -66.65 -21.98 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.1 -20.45 22.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.8 m-20 -69.58 -46.01 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.789 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.97 118.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' NE ' ' A' ' 54' ' ' ARG . 9.7 p -130.27 126.29 22.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.718 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 5.66 3.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.43 155.45 44.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.87 50.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.57 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.85 -27.46 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.879 HD12 ' OE1' ' A' ' 77' ' ' GLU . 3.4 mm? -45.05 101.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.716 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 30.4 p -82.6 -174.91 5.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -67.63 -45.16 76.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 3.6 ptpt -52.04 -48.46 64.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.879 ' OE1' HD12 ' A' ' 73' ' ' LEU . 2.3 pp20? -75.38 -40.26 58.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -50.56 -25.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -86.13 -43.91 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.718 HG21 ' O ' ' A' ' 57' ' ' GLY . 17.9 m -79.23 -47.4 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -56.54 -55.66 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.9 m120 -47.76 -56.36 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -34.06 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.87 -37.33 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.007 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.53 -44.29 96.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -63.58 -32.79 74.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 84' ' ' TRP . 6.2 mtpt -73.57 -43.13 60.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' TYR . 2.2 m-85 -77.21 -36.95 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 5.9 mm-40 -72.53 -30.58 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -97.5 23.9 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 21.8 mttm -150.71 -67.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.905 ' CD2' HG12 ' A' ' 31' ' ' VAL . 16.4 m-85 -79.79 133.66 58.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 145.46 31.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.432 HG11 HH11 ' A' ' 27' ' ' ARG . 34.6 t -91.9 108.51 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.933 HG11 ' CE1' ' A' ' 21' ' ' TYR . 2.5 m -85.23 -3.46 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 155.48 -174.65 33.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -122.11 135.67 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.54 HG21 ' HB1' ' A' ' 23' ' ' ALA . 22.3 t -56.81 128.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.562 HG23 HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -108.38 -55.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' GLU . 12.3 mtt -74.32 -33.63 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.436 ' HG2' ' NE ' ' A' ' 97' ' ' ARG . 1.4 mp0 54.96 109.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.784 ' HB2' HG21 ' A' ' 28' ' ' VAL . 25.6 m-85 -108.32 128.48 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.486 HG22 HG23 ' A' ' 99' ' ' VAL . 68.9 p -79.68 155.26 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.68 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.5 -46.04 56.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.548 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.0 tm0? -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.861 HD11 ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -58.35 -43.0 88.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.812 ' N ' HD13 ' A' ' 8' ' ' LEU . 76.8 p -58.17 -14.91 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 8.0 mm100 -70.6 -12.51 61.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 21.5 m-85 -132.58 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.6 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 13.2 p30 -93.39 22.96 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.96 105.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.605 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.928 HG21 ' HB3' ' A' ' 38' ' ' TYR . 4.8 mt -125.19 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.652 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.0 m-30 -127.76 134.76 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 15.4 t -113.33 150.1 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.27 132.22 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.616 HG22 ' HB2' ' A' ' 85' ' ' GLU . 82.9 mt -147.2 115.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.871 ' HD2' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 68.51 12.81 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.65 13.58 50.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.4 ttm-85 -114.33 133.75 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' ' 3' ' ' PHE . 54.0 t -87.73 121.6 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CD1' HG22 ' A' ' 94' ' ' VAL . 57.4 m-85 -115.37 151.16 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.664 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.24 127.77 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.899 HG12 ' CE2' ' A' ' 92' ' ' TYR . 32.6 m -129.45 5.52 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.547 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.44 -22.47 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 33' ' ' THR . 30.2 p -53.94 -9.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -149.23 53.19 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -49.84 -24.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -16.34 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.627 ' O ' ' N ' ' A' ' 43' ' ' ASP . 38.3 m-85 -107.56 -32.39 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.928 ' HB3' HG21 ' A' ' 20' ' ' ILE . 5.3 m-85 -106.38 -40.1 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.37 172.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 t -33.3 136.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 38.26 54.27 2.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -106.14 168.3 14.86 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.2 m-20 -39.55 -56.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.637 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 4.0 m-85 -92.21 37.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLY . 62.5 p -52.04 -23.73 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -85.35 -32.14 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.637 ' CD2' ' HB3' ' A' ' 44' ' ' TYR . 6.8 m-30 -78.39 -34.97 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -43.1 113.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.861 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 60.08 38.7 94.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' HB3' HG11 ' A' ' 66' ' ' VAL . 1.5 mtpm? -156.31 143.02 18.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.653 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 5.9 t0 -84.07 101.33 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -93.52 59.57 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.723 ' HA ' HD23 ' A' ' 81' ' ' LEU . 14.9 m -74.08 -53.91 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.62 -36.56 78.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.525 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -68.23 -38.0 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 52' ' ' ALA . 25.7 mt -71.29 -46.87 59.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -50.87 -74.15 0.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.7 OUTLIER -64.27 -20.23 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 5.9 mtp 67.35 50.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.89 -32.33 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 47' ' ' PHE . 0.9 OUTLIER 72.28 4.75 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 64' ' ' GLU . 8.9 t-20 -57.36 136.82 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.48 59.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.513 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -91.13 -22.42 20.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-20 -81.41 4.36 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 50' ' ' LYS . 2.7 t -91.08 96.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 4.2 p -123.74 123.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.653 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.25 109.73 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.871 HD11 ' HD2' ' A' ' 25' ' ' LYS . 20.3 mt -37.52 -48.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 41.7 mt-10 -2.06 81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 127.88 -34.05 3.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.591 HD13 HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -49.2 110.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.024 HG22 ' CD ' ' A' ' 77' ' ' GLU . 7.6 t -80.58 -169.16 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.476 ' N ' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -68.52 -40.83 80.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.01 -52.82 48.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 1.024 ' CD ' HG22 ' A' ' 74' ' ' THR . 1.5 pm0 -75.48 -43.83 47.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -53.75 -47.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -51.08 -53.86 30.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.936 HG22 ' CD1' ' A' ' 84' ' ' TRP . 52.7 m -78.75 -46.82 18.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.781 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -56.67 -57.1 13.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 78' ' ' ILE . 8.5 t-20 -55.68 -50.81 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.455 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 5.9 t0 -63.49 -31.69 72.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.936 ' CD1' HG22 ' A' ' 80' ' ' THR . 3.2 m95 -58.98 -41.85 88.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.616 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -61.9 -45.31 94.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -64.66 -34.3 77.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' OD1' ' A' ' 83' ' ' ASP . 36.6 mtpt -74.38 -42.47 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 24' ' ' ILE . 1.5 m-85 -73.36 -42.75 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.78 -18.62 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -92.71 -10.65 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -120.13 -71.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.899 ' CE2' HG12 ' A' ' 31' ' ' VAL . 11.8 m-85 -65.46 141.05 97.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG2' ' HB3' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.05 138.2 22.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 29' ' ' PHE . 32.9 t -91.61 110.02 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.54 -9.61 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.9 177.41 38.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -121.71 131.71 54.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 23' ' ' ALA . 51.5 t -49.69 146.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.486 HG23 HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -131.23 -48.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' GLU . 36.8 mtp -78.38 -28.2 46.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.9 mt-10 49.33 99.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' A' ' 97' ' ' ARG . 80.4 m-85 -107.18 134.19 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 p -80.14 151.69 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 -30.49 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 13.2 mt-10 -66.99 -48.27 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 2.1 mp0 -75.19 -43.32 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.705 HD13 HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -59.88 -36.62 77.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 t -67.04 -8.59 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 48.5 mm-40 -84.89 -27.14 26.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.624 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -105.93 53.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.888 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -88.91 13.49 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 65.64 89.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.385 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.2 mt -124.4 103.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 1.037 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 10.8 m-30 -120.45 139.84 52.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.809 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 61.9 t -112.89 165.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.686 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -130.62 130.45 43.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.831 HD11 ' CD2' ' A' ' 56' ' ' LEU . 2.0 mt -142.74 109.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CG ' HD11 ' A' ' 81' ' ' LEU . 6.1 mtpp 70.4 13.03 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.488 ' C ' ' HB ' ' A' ' 98' ' ' VAL . . . 97.55 12.73 46.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -108.78 125.92 52.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.865 HG23 HG23 ' A' ' 98' ' ' VAL . 17.4 t -81.15 121.98 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 47.9 m-85 -116.85 153.53 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.632 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -100.09 123.28 44.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.06 HG21 ' CD2' ' A' ' 38' ' ' TYR . 9.0 m -123.25 5.57 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.562 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.41 -25.31 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -55.43 -9.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.06 49.3 0.52 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.03 -23.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -17.59 26.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' ASP . 60.7 m-85 -108.19 -41.6 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.06 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -96.56 -36.72 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.68 -179.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.0 t -33.71 125.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.64 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -144.01 -175.43 17.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -47.09 -47.25 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.869 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 7.1 m-85 -101.15 57.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -73.06 -32.04 64.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -29.94 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.609 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 15.9 m-30 -77.76 -36.66 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.888 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -47.06 127.91 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 51.81 34.55 37.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.789 ' HB3' HG11 ' A' ' 66' ' ' VAL . 11.3 mttm -157.04 149.61 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.889 ' O ' HG13 ' A' ' 66' ' ' VAL . 28.7 t0 -86.48 124.4 32.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.609 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -115.71 54.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.3 t -75.01 -56.33 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.665 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.1 -34.45 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . . . -59.88 -46.07 90.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.985 HD23 ' HB3' ' A' ' 84' ' ' TRP . 3.2 mp -62.69 -44.95 94.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.593 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.33 -76.07 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' CE ' ' HD3' ' A' ' 54' ' ' ARG . 17.5 mttm -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 79.9 mtp 67.63 54.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -109.45 -21.07 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.94 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 54.45 18.75 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.626 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.0 m120 -62.17 155.77 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.65 -21.14 45.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.1 -35.24 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.766 ' CG ' ' HB2' ' A' ' 55' ' ' ALA . 43.3 p30 -56.71 -24.07 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 51' ' ' ASP . 52.8 t -48.02 104.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -116.39 108.9 44.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.761 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.2 2.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.17 135.76 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -79.24 52.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -101.41 55.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.56 -26.19 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -40.39 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.869 HG23 ' OE2' ' A' ' 77' ' ' GLU . 27.0 p -77.69 -172.35 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.27 -43.11 78.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.94 -51.29 58.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.869 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.6 pm0 -76.69 -41.65 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.54 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -52.16 -28.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.18 -47.44 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 57' ' ' GLY . 56.7 m -74.42 -46.77 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.775 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -58.33 -56.37 22.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.547 ' N ' HD13 ' A' ' 81' ' ' LEU . 5.1 m-20 -46.8 -49.04 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -61.41 -38.97 89.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.985 ' HB3' HD23 ' A' ' 56' ' ' LEU . 7.0 m95 -61.92 -35.98 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -63.53 -50.69 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.822 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.5 m -60.56 -30.37 69.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.2 mtpm? -75.72 -40.44 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' CD2' ' HD2' ' A' ' 92' ' ' TYR . 1.2 m-85 -81.25 -42.78 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.599 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.91 -35.49 76.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.61 30.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 73.3 mttt -152.3 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.894 ' CD2' HG12 ' A' ' 31' ' ' VAL . 16.3 m-85 -91.18 133.83 31.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.01 137.07 21.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 28' ' ' VAL . 38.3 t -84.08 106.69 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.037 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 28.3 m -82.25 -33.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.452 ' C ' ' HB ' ' A' ' 28' ' ' VAL . . . -156.83 -158.89 9.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -136.15 146.99 47.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.865 HG23 HG23 ' A' ' 28' ' ' VAL . 23.5 t -85.26 135.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -127.38 -88.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.448 ' H ' HG23 ' A' ' 99' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -73.93 -34.0 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 1.4 mt-10 59.39 107.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.641 ' HB2' HG21 ' A' ' 28' ' ' VAL . 91.3 m-85 -109.35 127.4 54.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.8 p -78.99 163.37 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.73 -30.82 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.85 -47.04 61.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.772 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.7 mt-30 -72.57 -33.49 66.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.883 HD13 HG22 ' A' ' 28' ' ' VAL . 2.2 tp -77.3 -23.72 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 18.8 t -80.36 -3.89 51.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.0 pt20 -113.14 24.99 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.772 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.3 m-85 -142.08 51.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.8 p-10 -109.35 15.73 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 102.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.9 mp -93.74 117.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.173 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.549 ' CE1' HG21 ' A' ' 95' ' ' VAL . 16.0 m-30 -129.35 128.57 43.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.817 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 14.5 t -106.91 177.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.719 ' H ' HG12 ' A' ' 22' ' ' VAL . . . -138.02 135.33 35.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.511 HD12 ' CD2' ' A' ' 88' ' ' PHE . 8.0 mt -147.26 109.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 4.2 mmmt 72.4 14.02 5.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.526 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 95.94 8.67 57.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 3.1 ttm180 -107.39 128.73 54.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 98' ' ' VAL . 10.0 t -84.44 121.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.663 ' CD1' HG22 ' A' ' 94' ' ' VAL . 47.1 m-85 -114.93 161.02 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.628 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -103.88 127.31 51.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.978 HG21 ' CD2' ' A' ' 38' ' ' TYR . 12.1 m -127.7 4.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -51.79 -23.76 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -54.79 -10.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.45 47.84 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' GLY . 25.7 pttt -49.5 -24.09 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -57.92 -18.7 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' ASP . 24.9 m-85 -109.09 -44.91 3.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.978 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.39 -38.35 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.933 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -76.73 165.59 53.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLY . 30.1 t 38.56 50.45 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 35.51 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -128.61 -143.1 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -38.38 -44.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.2 m-85 -115.26 53.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 p -69.39 -32.04 70.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.71 -28.94 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.8 m-30 -81.32 -36.22 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 119.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.505 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 59.26 37.34 91.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.641 ' HB3' HG21 ' A' ' 66' ' ' VAL . 12.2 mtpt -156.22 148.67 23.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 39.0 t0 -85.97 87.65 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.964 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -81.19 53.92 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 6.0 p -77.36 -47.7 19.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 67' ' ' SER . 6.9 mtp180 -66.34 -44.48 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.55 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.24 -42.7 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.032 HD23 ' HB3' ' A' ' 84' ' ' TRP . 6.8 mp -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.491 ' O ' HG21 ' A' ' 80' ' ' THR . . . -58.86 -75.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.57 -26.5 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 13.2 mtp 68.26 47.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -108.73 -15.28 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.55 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 52.69 19.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.577 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.1 m120 -67.38 140.0 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -68.53 -21.05 64.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.97 -21.55 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 5.7 m-20 -73.05 -46.4 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.665 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -52.13 119.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -136.63 135.23 20.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.687 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.26 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 73' ' ' LEU . 69.9 mt -26.64 -55.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.19 -156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.68 47.54 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -59.49 114.83 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.762 HG22 ' CG ' ' A' ' 77' ' ' GLU . 6.3 t -74.92 -174.49 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -67.68 -43.59 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 5.9 ptpt -51.21 -47.95 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.846 ' HB2' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -80.26 -43.09 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -52.33 -29.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -88.94 -44.27 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 57' ' ' GLY . 63.5 m -76.25 -48.55 19.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.799 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -57.68 -59.76 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 2.9 m-20 -50.52 -40.82 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -66.4 -38.53 87.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 1.032 ' HB3' HD23 ' A' ' 56' ' ' LEU . 7.9 m95 -59.33 -38.05 79.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 10.8 tt0 -63.1 -46.35 87.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.682 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.5 m -62.33 -25.02 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 1.8 mttm -85.98 -37.68 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.511 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -77.75 -46.63 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.616 ' OE1' ' N ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -69.57 -19.17 63.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -104.49 25.42 10.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -152.11 -46.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.843 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.8 m-85 -96.76 136.55 21.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.88 24.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.663 HG22 ' CD1' ' A' ' 29' ' ' PHE . 59.0 t -87.68 109.46 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 21' ' ' TYR . 19.2 m -88.05 -18.75 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -175.62 -177.01 44.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -127.16 126.45 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 28' ' ' VAL . 71.6 t -58.14 150.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 -49.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' PRO . . . . . 0.555 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.5 Cg_endo -74.99 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 6.4 mtt -73.06 -33.21 65.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.3 mt-10 53.51 107.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.786 ' HB2' HG21 ' A' ' 28' ' ' VAL . 72.7 m-85 -108.45 130.69 55.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.7 p -74.83 154.0 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -30.74 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -69.45 -47.32 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.534 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.6 -40.88 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.107 HD13 HG22 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -61.72 -29.33 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -77.97 4.58 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 32.4 mt-30 -100.11 12.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 42.6 m-85 -137.04 41.13 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.602 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -84.47 5.66 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 83.45 101.3 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 177.94 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.544 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -65.3 -171.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.09 -45.43 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -104.22 -47.23 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -37.88 122.94 1.01 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.4 Cg_endo -74.94 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.713 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.2 mp -123.75 119.08 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.0 m-30 -124.05 132.39 53.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.96 HG11 ' OH ' ' A' ' 38' ' ' TYR . 5.1 t -112.5 149.88 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -107.72 134.73 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.71 HG22 ' HD3' ' A' ' 25' ' ' LYS . 8.3 mt -141.71 110.35 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.713 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.9 OUTLIER 64.99 15.25 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.64 17.22 29.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.854 HH11 HG11 ' A' ' 94' ' ' VAL . 2.5 ttm-85 -116.42 126.58 53.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.107 HG22 HD13 ' A' ' 8' ' ' LEU . 42.3 t -82.58 122.25 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CD1' HG22 ' A' ' 94' ' ' VAL . 30.5 m-85 -115.16 158.43 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.621 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -104.01 124.88 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.102 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.1 m -127.63 6.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.551 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.93 -24.49 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.0 p -56.4 -9.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.49 47.29 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -50.4 -22.83 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.69 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 73.1 m-85 -108.22 -44.12 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.102 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -91.97 -38.04 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.83 168.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -35.89 124.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.961 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.05 87.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.5 -176.87 25.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -41.84 -49.9 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.0 m-85 -104.57 59.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -74.72 -31.9 61.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -23.21 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.759 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 13.4 m-30 -84.91 -32.82 22.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.602 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -53.19 123.91 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 60.91 30.43 73.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 8.4 mttt -157.6 149.91 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.772 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 22.2 t0 -87.15 111.24 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.759 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -100.59 52.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.516 ' HA ' HD23 ' A' ' 81' ' ' LEU . 5.9 p -73.39 -53.43 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 2.4 mtp180 -68.2 -44.61 75.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' CA ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.76 -36.72 77.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 52' ' ' ALA . 16.5 mt -70.71 -43.07 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -54.23 -75.22 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -63.44 -21.83 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 2.1 mtp 68.89 50.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -28.89 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 47' ' ' PHE . 13.1 mttt 66.63 19.22 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.64 ' O ' HG23 ' A' ' 66' ' ' VAL . 4.8 m120 -64.52 146.93 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.26 -23.22 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 18.1 m-20 -75.22 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 62' ' ' ASN . 2.9 t -83.76 89.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 4.1 t -113.82 131.45 23.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.772 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 10.66 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.86 143.2 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -89.43 36.19 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.02 53.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.12 -26.14 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -41.47 110.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.867 HG23 ' OE2' ' A' ' 77' ' ' GLU . 28.5 p -76.93 -171.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.37 -41.36 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 8.7 ptpt -53.02 -52.01 59.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.867 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.8 pm0 -74.99 -41.09 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -55.79 -49.2 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.44 -50.01 60.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.896 HG22 ' CD1' ' A' ' 84' ' ' TRP . 72.7 m -79.39 -46.84 16.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.808 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -57.9 -56.4 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' ILE . 7.2 t-20 -51.67 -42.93 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -31.73 64.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.896 ' CD1' HG22 ' A' ' 80' ' ' THR . 7.3 m95 -60.13 -32.73 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -62.17 -46.36 89.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.62 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -64.54 -36.7 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.5 mttm -66.26 -46.84 75.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.7 m-85 -79.56 -36.85 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 85' ' ' GLU . 7.8 tp10 -69.83 -38.26 76.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.59 31.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 39.5 mttt -153.89 -60.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.851 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.9 m-85 -87.13 138.37 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.94 139.74 24.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.854 HG11 HH11 ' A' ' 27' ' ' ARG . 74.8 t -93.28 109.44 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.7 m -89.5 -11.0 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 171.23 177.51 41.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.165 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.84 130.31 52.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.577 HG23 HG23 ' A' ' 28' ' ' VAL . 39.1 t -50.79 133.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -83.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' PRO . . . . . 0.55 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.2 Cg_endo -75.06 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' GLU . 54.9 mtp -71.07 -35.41 71.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' MET . 7.5 mt-10 55.36 110.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.809 ' HB2' HG21 ' A' ' 28' ' ' VAL . 26.7 m-85 -108.91 129.79 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -77.83 163.71 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.8 -35.85 61.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.57 -46.05 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.691 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.07 -31.12 64.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 HG22 ' A' ' 28' ' ' VAL . 3.3 tp -82.73 -24.23 33.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 81.6 p -87.45 22.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.603 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 7.5 pt20 -133.02 15.9 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.691 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 51.0 m-85 -138.93 60.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 13.5 p30 -113.63 17.76 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.12 47.57 23.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -101.77 -21.7 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -106.67 -159.06 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -104.47 -52.12 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' LYS . 15.2 m -84.16 -47.39 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -37.19 121.73 0.86 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.649 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.99 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.677 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.9 mp -112.52 121.5 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.469 ' HB3' HG13 ' A' ' 28' ' ' VAL . 21.9 m-30 -128.53 129.17 45.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.868 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 12.4 t -109.68 155.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -111.67 143.58 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 56' ' ' LEU . 2.9 mt -149.24 111.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.998 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER 60.2 17.51 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.04 16.47 32.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -114.41 129.26 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 3' ' ' PHE . 55.6 t -86.49 122.12 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.609 ' CD1' HG22 ' A' ' 94' ' ' VAL . 41.1 m-85 -116.76 149.67 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.635 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -96.29 126.16 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.996 HG21 ' CD2' ' A' ' 38' ' ' TYR . 15.4 m -127.38 3.8 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.545 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -49.41 -25.77 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -8.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.01 47.7 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.1 pttt -49.5 -23.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 t -60.36 -17.83 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' O ' ' N ' ' A' ' 43' ' ' ASP . 32.0 m-85 -107.41 -43.76 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.996 ' CD2' HG21 ' A' ' 31' ' ' VAL . 1.5 m-85 -92.9 -38.08 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.92 177.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLY . 8.1 t -39.31 140.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.5 71.12 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -132.31 175.12 20.03 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 37' ' ' PHE . 4.4 m-20 -43.38 -50.28 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m-85 -102.47 61.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t -74.55 -33.05 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.1 -30.32 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.5 m-30 -77.78 -32.78 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.41 123.27 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 61.02 33.34 83.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.773 ' HB3' HG11 ' A' ' 66' ' ' VAL . 33.0 mtmt -161.57 152.01 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.815 ' O ' HG13 ' A' ' 66' ' ' VAL . 43.7 t0 -88.98 107.47 19.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.68 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -100.94 59.98 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -74.95 -54.05 7.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 5.4 mtm180 -61.37 -49.68 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.84 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 52' ' ' ALA . 17.1 mt -73.14 -42.74 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -59.88 -75.19 0.29 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -61.0 -20.81 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.8 OUTLIER 67.31 54.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -112.64 -44.09 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.84 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 10.7 mttp 86.83 18.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -57.5 147.51 26.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.96 -24.43 55.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -21.46 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.551 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 2.5 m-20 -65.27 -43.67 90.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 51' ' ' ASP . 58.5 t -35.64 109.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -121.39 109.62 34.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.714 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 7.79 2.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.65 156.31 40.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 25' ' ' LYS . 20.0 mt -79.94 49.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.06 70.62 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.95 -11.87 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 4.0 mm? -67.46 100.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.686 HG23 ' OE2' ' A' ' 77' ' ' GLU . 28.9 p -78.52 -175.46 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.491 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.7 OUTLIER -67.6 -42.02 83.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 2.7 ptpt -53.04 -52.61 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.759 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -75.13 -41.24 58.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -52.8 -47.88 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -48.08 -53.83 15.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.644 HG22 ' CD1' ' A' ' 84' ' ' TRP . 16.8 m -80.35 -46.7 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.998 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -56.47 -57.94 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.5 t-20 -51.53 -43.55 62.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.57 -30.36 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.644 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.74 -47.33 86.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.92 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -74.0 -43.97 56.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.9 OUTLIER -71.09 -43.25 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' CB ' ' HE1' ' A' ' 29' ' ' PHE . 1.4 pp20? -71.79 -20.18 61.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.84 -15.4 34.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.06 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.884 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.6 m-85 -69.69 138.78 88.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 135.22 18.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 29' ' ' PHE . 39.0 t -91.36 109.12 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.68 -14.32 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -177.77 42.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.577 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.75 134.32 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' GLY . 18.7 t -49.39 143.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -90.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -163.58 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.6 mtm -67.08 -31.96 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.6 mt-10 54.33 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.716 ' HB2' HG21 ' A' ' 28' ' ' VAL . 96.2 m-85 -108.84 129.15 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.4 p -77.98 157.48 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.18 -29.4 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -71.84 -47.09 55.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' A' ' 10' ' ' GLN . 1.1 mm-40 -73.42 -37.95 65.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.814 HD13 HG22 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -65.31 -28.67 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -77.77 2.4 17.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.432 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 20.8 mt-30 -99.93 2.51 43.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 49.4 m-85 -129.96 58.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.509 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -113.43 11.29 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.67 45.76 6.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.34 -18.64 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.66 -167.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -71.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.0 m -65.41 -48.39 72.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -39.62 122.21 1.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -74.99 -168.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.1 mp -122.11 121.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.3 m-30 -126.28 131.97 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.87 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 7.7 t -110.01 151.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -112.49 136.4 52.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.585 HG23 HD21 ' A' ' 81' ' ' LEU . 54.7 mt -144.81 111.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.9 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.4 OUTLIER 64.23 15.21 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.09 33.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.661 HH11 HG11 ' A' ' 94' ' ' VAL . 4.2 ttm-85 -112.64 129.16 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.814 HG22 HD13 ' A' ' 8' ' ' LEU . 24.5 t -87.23 123.18 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 94' ' ' VAL . 40.2 m-85 -119.08 150.34 40.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.63 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.53 127.24 43.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.061 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -130.86 7.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.577 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.08 -24.33 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 33' ' ' THR . 29.4 p -55.66 -8.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -155.29 48.65 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 10.1 pttt -49.88 -24.21 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -57.3 -17.96 14.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.4 m-85 -108.64 -42.87 4.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.061 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -95.78 -38.36 10.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -54.78 -116.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -57.59 -154.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 66.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -89.9 -137.62 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -101.87 -27.41 13.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.847 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.4 m-85 -110.38 44.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.9 74.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.59 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.96 -27.94 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 6.2 m-30 -80.53 -33.25 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 12' ' ' ASN . . . -50.54 133.21 25.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.76 37.05 20.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.675 ' HB3' HG11 ' A' ' 66' ' ' VAL . 17.2 mttp -160.21 153.41 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.817 ' O ' HG13 ' A' ' 66' ' ' VAL . 28.3 t0 -90.27 95.86 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.675 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -89.32 62.9 6.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.484 ' C ' HD11 ' A' ' 73' ' ' LEU . 2.6 p -74.46 -56.29 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.584 ' HG2' HD22 ' A' ' 73' ' ' LEU . 49.6 mtp180 -62.06 -47.27 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -58.43 -36.46 73.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.604 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 19.1 mt -72.01 -44.55 63.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.52 -78.5 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -18.75 21.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.423 ' HG2' HG21 ' A' ' 80' ' ' THR . 9.6 mtp 73.91 38.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -107.13 -172.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.31 25.03 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -62.56 139.21 58.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.77 -21.93 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.81 -20.86 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 2.0 m-20 -62.17 -47.41 84.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 51' ' ' ASP . 71.6 t -45.67 113.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.446 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -127.8 112.15 20.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.668 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.02 7.84 2.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -141.39 119.05 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 ' CB ' ' A' ' 25' ' ' LYS . 58.0 mt -36.98 -48.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.3 mt-10 -35.7 94.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 133.94 -33.74 2.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.619 HD13 ' OE1' ' A' ' 77' ' ' GLU . 2.3 mm? -63.0 113.25 2.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.486 HG23 ' OE2' ' A' ' 77' ' ' GLU . 43.8 p -82.94 -176.62 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.494 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -68.38 -40.62 81.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.9 ptpt -53.83 -49.08 69.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.1 pt-20 -78.67 -41.6 30.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -53.54 -46.92 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 2.2 m-20 -50.52 -50.78 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.609 HG22 ' CD1' ' A' ' 84' ' ' TRP . 19.5 m -81.24 -47.29 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.9 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -57.76 -59.62 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.6 t-20 -49.2 -40.33 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.68 -31.4 61.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.5 m95 -59.18 -41.05 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.981 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -60.28 -46.09 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -65.05 -34.87 79.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -74.12 -42.17 60.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.551 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.4 m-85 -73.3 -42.53 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -71.96 -20.09 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.23 -10.93 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 -68.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.818 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.2 m-85 -67.43 138.5 94.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.98 136.93 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.661 HG11 HH11 ' A' ' 27' ' ' ARG . 21.5 t -91.55 107.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 3' ' ' PHE . 29.5 m -83.43 -11.13 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 162.49 -172.91 38.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 1.5 ppt_? -120.59 141.32 50.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.619 HG21 ' CB ' ' A' ' 23' ' ' ALA . 10.0 t -58.23 127.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -111.25 -88.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLU . 38.7 mtm -64.58 -35.34 80.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 1.3 mt-10 57.14 114.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.746 ' HB2' HG21 ' A' ' 28' ' ' VAL . 72.8 m-85 -108.95 129.2 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -77.34 158.67 30.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.78 -33.57 49.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.58 -44.97 63.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.03 -42.91 65.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.572 HD13 HG22 ' A' ' 28' ' ' VAL . 2.6 tp -58.46 -37.7 76.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -65.75 -10.84 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 7' ' ' GLN . 9.3 mm100 -74.94 -19.9 59.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CE2' ' HG3' ' A' ' 18' ' ' LYS . 9.5 m-85 -121.43 67.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.67 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.27 13.27 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.48 100.14 0.55 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.68 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 3.6 m-20 -76.95 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -96.24 -74.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 -45.48 71.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.609 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -44.41 119.96 3.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.3 Cg_endo -74.99 -164.1 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.892 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.5 mp -125.96 124.11 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.544 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.7 m-30 -124.63 130.49 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.7 t -108.98 153.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -112.73 136.84 51.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.48 ' CD1' HD13 ' A' ' 56' ' ' LEU . 23.9 mt -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.836 ' HD3' HD11 ' A' ' 81' ' ' LEU . 11.1 mmmm 66.78 14.87 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.43 14.71 43.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -112.73 131.39 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.746 HG21 ' HB2' ' A' ' 3' ' ' PHE . 12.5 t -87.15 122.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CD1' HG22 ' A' ' 94' ' ' VAL . 40.5 m-85 -118.26 144.98 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.654 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -90.25 126.56 35.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.887 HG12 ' CD2' ' A' ' 92' ' ' TYR . 23.2 m -128.37 4.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.55 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.24 -22.93 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.8 p -54.8 -8.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -151.2 50.06 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLY . 14.6 pttt -49.21 -24.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.2 m-85 -107.91 -42.39 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.892 ' HB3' HG21 ' A' ' 20' ' ' ILE . 5.0 m-85 -92.88 -37.95 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.68 169.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.1 t -33.94 123.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.93 87.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -148.92 -176.02 21.89 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.38 -51.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.689 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 1.3 m-85 -110.71 63.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -28.04 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.74 -31.04 24.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.703 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.9 m-30 -75.3 -33.19 61.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -49.37 130.22 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.12 38.15 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.6 OUTLIER -163.09 153.06 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.8 ' O ' HG13 ' A' ' 66' ' ' VAL . 61.4 t0 -86.52 116.98 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.703 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -114.7 46.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -72.27 -41.17 67.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.565 ' HA ' HD21 ' A' ' 73' ' ' LEU . 5.2 mtm180 -66.78 -53.71 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 65' ' ' ASP . . . -60.83 -34.61 74.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 52' ' ' ALA . 9.6 mt -61.88 -43.56 98.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.6 -68.93 1.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -60.54 -25.15 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER 65.69 50.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -113.49 -23.57 9.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 63.55 12.88 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.5 m120 -50.33 148.58 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -24.74 59.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.36 -20.93 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -67.99 -43.72 78.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 51' ' ' ASP . 54.7 t -52.45 121.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.486 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 1.5 t -152.97 134.25 8.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.676 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.04 6.99 3.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.609 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -154.93 87.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.953 HD12 ' N ' ' A' ' 71' ' ' GLU . 3.6 pp -22.48 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.953 ' N ' HD12 ' A' ' 70' ' ' LEU . 9.3 mm-40 26.96 41.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 158.08 39.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.725 HD13 ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -93.07 107.62 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.846 HG23 ' OE2' ' A' ' 77' ' ' GLU . 24.8 p -74.15 -173.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.543 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -68.9 -43.16 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -52.97 -51.77 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.846 ' OE2' HG23 ' A' ' 74' ' ' THR . 2.3 pm0 -75.69 -38.63 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.549 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -52.62 -30.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -82.45 -51.88 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.687 HG22 ' CD1' ' A' ' 84' ' ' TRP . 32.1 m -69.97 -47.31 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.836 HD11 ' HD3' ' A' ' 25' ' ' LYS . 1.5 tm? -57.12 -54.54 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.7 m120 -50.45 -59.46 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -58.23 -33.27 69.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.687 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -59.39 -48.67 80.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -62.19 -47.5 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.0 mttm -73.39 -43.68 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.2 m-85 -70.43 -43.52 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.25 -18.77 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.59 -16.02 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -68.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.1 m-85 -69.6 138.65 88.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.07 138.84 23.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.594 HG22 ' CD1' ' A' ' 29' ' ' PHE . 34.7 t -91.36 109.57 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 28' ' ' VAL . 22.1 m -88.73 -5.8 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.86 -175.02 40.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 2.4 ppt_? -126.07 135.86 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.636 HG23 HG23 ' A' ' 28' ' ' VAL . 54.4 t -58.28 124.84 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -107.93 -53.22 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -65.26 -34.01 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.3 mt-10 58.04 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.707 ' HB2' HG21 ' A' ' 28' ' ' VAL . 67.6 m-85 -109.45 130.23 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.2 p -74.87 155.65 37.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 110.368 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.82 53.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -46.97 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -35.34 66.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.794 HD13 HG22 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -67.44 -32.42 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -72.42 -0.56 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.448 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.1 mt-30 -95.26 14.83 20.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 28.8 m-85 -137.18 38.59 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.697 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -88.97 15.81 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.26 108.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -179.1 -40.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -75.7 -159.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.02 -55.93 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.0 m -84.02 -48.22 10.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 1.6 mmtm -37.21 119.64 0.84 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.99 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.1 mp -123.1 116.2 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.578 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.1 m-30 -126.94 133.58 50.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.904 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 8.4 t -112.88 149.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -108.46 134.25 51.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.614 HG22 ' HD3' ' A' ' 25' ' ' LYS . 12.7 mt -141.17 110.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.637 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.8 OUTLIER 65.23 16.16 10.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.95 14.56 39.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.76 HH11 HG11 ' A' ' 94' ' ' VAL . 2.4 ttm-85 -113.55 128.41 56.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.794 HG22 HD13 ' A' ' 8' ' ' LEU . 40.7 t -84.92 122.65 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 94' ' ' VAL . 40.9 m-85 -118.19 153.16 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.62 127.57 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.104 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.8 m -128.46 7.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.587 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.15 -25.9 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -8.96 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.58 48.07 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.13 -23.46 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.88 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.0 m-85 -107.94 -44.36 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.104 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -92.37 -38.15 12.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.94 172.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -36.02 127.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 41.42 88.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.23 -178.5 26.98 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -41.24 -51.48 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.835 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -103.11 59.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -33.31 62.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.12 -23.31 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.1 m-30 -84.8 -33.4 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 12' ' ' ASN . . . -51.16 126.59 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 57.18 34.23 66.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.767 ' HB3' HG11 ' A' ' 66' ' ' VAL . 8.1 mttm -162.17 151.06 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.85 ' O ' HG13 ' A' ' 66' ' ' VAL . 25.1 t0 -86.47 111.64 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.693 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -104.66 52.3 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.534 ' HA ' HD23 ' A' ' 81' ' ' LEU . 52.2 m -75.44 -46.99 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.631 ' HG2' HD11 ' A' ' 73' ' ' LEU . 6.8 mtm180 -67.48 -49.32 64.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.71 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.42 -34.43 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 52' ' ' ALA . 19.5 mt -70.99 -41.06 71.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.02 -77.74 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.513 ' CE ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.8 53.26 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -112.31 -18.46 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.71 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 9.1 ptpt 51.27 23.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 64' ' ' GLU . 2.6 t-20 -73.25 131.8 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -16.46 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -89.6 -22.13 22.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.1 m-20 -76.65 -37.03 56.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 51' ' ' ASP . 45.4 t -39.97 124.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.542 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 9.4 p -146.23 121.07 5.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.709 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 8.91 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.08 140.99 20.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -87.37 41.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.11 49.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.82 -24.87 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.631 HD11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -41.96 117.08 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.462 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 19.4 p -79.12 -176.76 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.45 -40.34 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.98 -48.0 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.811 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt-20 -80.08 -42.32 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -52.45 -48.48 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -54.58 -47.02 73.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.607 HG22 ' CD1' ' A' ' 84' ' ' TRP . 50.1 m -79.99 -48.28 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.811 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -58.76 -58.16 9.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.667 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.0 t-20 -51.84 -39.83 59.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -35.07 63.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -59.22 -32.59 70.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.986 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 5.7 tt0 -62.77 -50.67 70.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 m -60.6 -33.41 72.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 21.2 mttt -73.81 -40.89 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.05 -42.79 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.611 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -68.5 -34.24 75.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -89.32 29.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 15.7 mttt -154.03 -57.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.849 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.4 m-85 -85.83 138.58 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.97 136.81 20.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.76 HG11 HH11 ' A' ' 27' ' ' ARG . 20.4 t -89.03 110.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -90.64 -9.16 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 167.79 -177.63 42.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.563 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.89 133.62 53.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.619 HG21 ' CB ' ' A' ' 23' ' ' ALA . 37.3 t -55.58 122.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -104.94 -52.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt -66.57 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.2 mt-10 58.99 116.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.026 ' HB2' HG21 ' A' ' 28' ' ' VAL . 57.5 m-85 -111.53 130.21 55.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.9 p -77.16 154.99 32.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.66 47.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -71.59 -46.78 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -72.96 -38.5 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -29.25 70.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -77.48 3.48 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 24.6 mt-30 -100.01 10.89 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 33.7 m-85 -139.08 46.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.575 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 1.3 p-10 -92.05 10.85 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.45 100.86 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.87 -36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -73.04 -170.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.33 -65.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' LYS . 57.8 m -80.57 -48.27 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -37.43 121.44 0.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 -165.47 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.4 mp -123.55 117.56 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.652 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 22.6 m-30 -126.51 139.34 53.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.875 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 57.6 t -117.99 170.85 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.583 ' N ' HG12 ' A' ' 22' ' ' VAL . . . -128.11 138.18 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.699 HD12 ' CD2' ' A' ' 88' ' ' PHE . 11.2 mt -151.71 114.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.704 ' HD3' HD11 ' A' ' 81' ' ' LEU . 0.4 OUTLIER 69.32 9.98 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.25 14.17 42.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -113.88 124.56 52.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.026 HG21 ' HB2' ' A' ' 3' ' ' PHE . 77.0 t -75.52 120.43 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.799 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 50.5 m-85 -117.96 145.65 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.652 ' OD1' ' CD1' ' A' ' 21' ' ' TYR . 4.1 m-20 -93.87 137.43 33.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.037 HG21 ' CD2' ' A' ' 38' ' ' TYR . 19.1 m -134.38 8.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.74 -26.9 10.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.3 p -56.57 -9.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' THR . . . -151.73 45.43 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -50.37 -23.15 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -18.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 12.6 m-85 -107.66 -45.92 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.037 ' CD2' HG21 ' A' ' 31' ' ' VAL . 1.1 m-85 -89.68 -38.42 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.7 172.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLY . 7.0 t -37.72 133.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.79 81.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.92 179.05 24.16 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -40.13 -51.55 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.768 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.2 m-85 -105.45 60.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -33.22 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.67 -30.82 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 5.3 m-30 -75.55 -33.83 60.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -50.07 126.31 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 62.1 32.7 83.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.676 ' HB3' HG21 ' A' ' 66' ' ' VAL . 9.5 mtmm -158.84 153.42 24.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.691 ' C ' HG23 ' A' ' 66' ' ' VAL . 49.2 t0 -88.16 83.75 6.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -78.39 54.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -74.64 -49.02 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.2 mtm180 -64.69 -45.15 87.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -59.71 -31.92 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' A' ' 24' ' ' ILE . 12.0 mt -71.27 -46.25 61.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG21 ' A' ' 80' ' ' THR . . . -55.24 -77.97 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.1 -17.04 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 mtp 71.99 38.18 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.81 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -108.6 144.57 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 46' ' ' MET . 12.8 mtmt -91.12 19.77 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.49 132.26 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -75.48 -19.25 59.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -21.72 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.1 m-20 -66.99 -48.05 69.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.691 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -49.7 124.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.463 ' OG ' ' CD ' ' A' ' 54' ' ' ARG . 52.6 p -144.76 132.13 10.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.95 7.18 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.572 1.827 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -148.85 108.72 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.722 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.676 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.2 mm-40 -6.81 81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 134.17 -37.16 2.0 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -42.62 112.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' OE2' ' A' ' 77' ' ' GLU . 7.8 p -74.09 -170.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.46 -43.39 69.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.0 -51.29 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pm0 -75.16 -42.22 56.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -51.35 -28.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -84.71 -45.83 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 57' ' ' GLY . 21.5 m -75.03 -46.96 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.19 -53.63 55.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.571 ' N ' HD13 ' A' ' 81' ' ' LEU . 2.4 m120 -47.76 -59.7 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -35.83 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.7 OUTLIER -59.07 -47.1 86.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 108.005 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.69 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -58.43 -48.27 81.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.2 m -63.61 -32.91 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 4.9 mtpt -76.67 -44.33 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.699 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -71.03 -43.12 68.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.799 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.89 -18.8 62.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -101.07 -13.83 18.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 2.7 mmtt -105.39 -57.17 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.762 ' CG ' HG12 ' A' ' 31' ' ' VAL . 13.4 m-85 -87.81 142.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 132.07 15.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.774 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -94.91 107.6 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG23 ' CE1' ' A' ' 3' ' ' PHE . 19.2 m -81.79 2.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.449 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 156.39 177.69 29.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 2.0 ppt_? -113.9 140.04 48.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 3.0 t -49.71 165.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.536 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.2 -76.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.9 mtp -67.12 -34.47 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.569 ' OE1' HG11 ' A' ' 99' ' ' VAL . 46.6 mt-10 54.93 117.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.725 ' HB2' HG21 ' A' ' 28' ' ' VAL . 96.1 m-85 -113.12 129.88 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 p -81.38 158.98 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.42 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.3 mt-10 -72.91 -47.93 41.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -73.78 -42.66 60.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD13 HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -58.06 -31.48 67.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -73.03 -7.01 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 4.1 mt-30 -102.76 14.01 33.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.597 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 59.3 m-85 -136.76 60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.1 p30 -112.4 8.55 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 70.08 98.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 175.83 -34.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -152.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.38 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.07 34.01 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.61 129.54 73.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 165.34 31.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.868 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.6 mp -102.65 124.47 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HB3' HG13 ' A' ' 28' ' ' VAL . 21.5 m-85 -128.73 130.1 46.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.792 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 17.7 t -105.98 153.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -117.87 136.16 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 88' ' ' PHE . 2.1 mt -151.97 111.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 1.006 ' HD3' HD11 ' A' ' 81' ' ' LEU . 2.8 mmmp? 72.99 10.64 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.64 15.81 38.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.767 HH11 HG11 ' A' ' 94' ' ' VAL . 1.5 ttm-85 -113.49 131.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 24.5 t -87.96 123.84 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 46.8 m-85 -118.06 149.36 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.83 124.81 39.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.895 HG12 ' CE2' ' A' ' 92' ' ' TYR . 25.5 m -127.64 4.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.531 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.32 -22.78 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 33' ' ' THR . 29.8 p -54.71 -9.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -148.73 49.41 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.2 pttt -49.59 -24.44 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -18.42 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.1 m-85 -107.78 -38.97 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.868 ' HB3' HG21 ' A' ' 20' ' ' ILE . 4.1 m-85 -95.04 -38.87 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.56 171.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 t -34.24 120.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.82 94.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -155.82 -175.3 26.67 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.675 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -111.81 65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -31.96 68.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -81.98 -32.54 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.751 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 4.3 m-30 -72.12 -34.22 68.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.93 123.25 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 50.68 40.58 41.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.806 ' HB3' HG11 ' A' ' 66' ' ' VAL . 4.0 mtmt -161.52 155.21 21.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.882 ' O ' HG13 ' A' ' 66' ' ' VAL . 38.0 t0 -88.26 111.36 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.751 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -99.74 63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 m -75.17 -55.15 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.6 ' HG2' HD21 ' A' ' 73' ' ' LEU . 4.1 mmm180 -61.61 -46.08 91.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . . . -57.97 -46.73 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD23 ' HB3' ' A' ' 84' ' ' TRP . 3.7 mp -59.27 -50.95 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.628 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.17 -83.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -22.37 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.5 ' CG ' HG21 ' A' ' 80' ' ' THR . 11.3 mtp 74.78 36.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.04 -172.15 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.44 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -130.99 39.49 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -75.35 139.89 42.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -77.05 -22.49 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.45 -20.74 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.585 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 m-20 -59.2 -48.97 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 51' ' ' ASP . 52.7 t -34.31 105.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.425 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -119.23 107.08 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.665 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 144.34 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.554 HD11 ' NZ ' ' A' ' 25' ' ' LYS . 59.3 mt -73.93 55.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 15.0 pt-20 -108.97 54.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.61 -20.37 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.74 HD13 ' OE1' ' A' ' 77' ' ' GLU . 2.4 mm? -54.15 107.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' OE2' ' A' ' 77' ' ' GLU . 20.9 p -77.58 -179.35 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -65.94 -41.94 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -52.91 -49.92 64.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.755 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pt-20 -79.58 -40.8 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 74' ' ' THR . 1.0 OUTLIER -52.26 -29.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.63 -47.44 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.5 HG21 ' CG ' ' A' ' 59' ' ' MET . 27.5 m -76.76 -47.76 20.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.006 HD11 ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -55.3 -56.5 19.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.698 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.1 m120 -50.77 -37.26 41.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -35.57 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.722 ' HB3' HD23 ' A' ' 56' ' ' LEU . 16.8 m95 -59.88 -43.34 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -63.3 -45.05 93.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.62 -34.14 77.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.9 mttm -73.39 -42.9 61.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 24' ' ' ILE . 2.1 m-85 -68.91 -43.56 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.49 -19.36 61.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.27 -10.84 31.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -120.64 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.895 ' CE2' HG12 ' A' ' 31' ' ' VAL . 13.2 m-85 -64.13 142.15 98.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.01 138.52 23.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.767 HG11 HH11 ' A' ' 27' ' ' ARG . 23.5 t -93.26 109.83 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.717 HG23 ' CE1' ' A' ' 3' ' ' PHE . 29.7 m -88.66 -8.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.27 -175.18 41.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -123.98 141.13 52.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 28' ' ' VAL . 31.5 t -59.33 120.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG11 ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -103.75 -58.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mtt -69.92 -34.47 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 8.3 mt-10 56.39 112.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.917 ' HB2' HG21 ' A' ' 28' ' ' VAL . 68.7 m-85 -108.26 128.54 54.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 p -80.39 159.63 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.11 -29.3 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.4 -46.97 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.735 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -73.65 -33.15 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 10.5 tp -77.91 -24.35 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 5.6 m -80.08 -0.89 37.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.562 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.3 pt20 -116.37 20.48 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 23.5 m-85 -136.81 52.09 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.9 p30 -109.92 12.18 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.29 104.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER 176.9 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.401 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' N ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER -55.28 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -87.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -123.4 30.01 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -58.77 139.95 86.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 160.76 39.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 35' ' ' LYS . 1.3 mp -104.76 114.41 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 21.1 m-30 -130.69 134.92 47.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.867 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 13.6 t -113.75 167.75 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' ' CD2' ' A' ' 8' ' ' LEU . . . -124.8 141.47 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 88' ' ' PHE . 43.3 mt -152.48 113.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' CE ' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 68.13 14.3 9.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.34 12.0 55.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.63 HH11 HG11 ' A' ' 94' ' ' VAL . 2.5 ttm-85 -112.02 132.32 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.917 HG21 ' HB2' ' A' ' 3' ' ' PHE . 10.9 t -84.77 120.84 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.727 ' CD1' HG22 ' A' ' 94' ' ' VAL . 60.5 m-85 -117.49 141.82 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 4.2 m-20 -89.46 134.18 34.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.042 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -132.23 9.16 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.69 -26.31 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -9.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.94 46.18 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 13.2 pttt -50.11 -24.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -18.14 31.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 69.5 m-85 -107.21 -44.1 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.042 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -91.94 -39.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.46 173.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -38.53 128.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.046 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' ' OG ' ' A' ' 45' ' ' SER . . . 43.73 87.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -154.77 -179.25 29.85 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -40.12 -52.07 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.825 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.1 m-85 -105.95 61.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.402 ' OG ' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -74.1 -31.34 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -82.69 -31.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 5.7 m-30 -77.13 -34.77 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -43.46 126.35 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.36 36.47 46.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.598 ' HB3' HG11 ' A' ' 66' ' ' VAL . 5.8 mtpt -158.7 149.35 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.633 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 13.8 t0 -88.01 116.74 26.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -106.55 64.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.505 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 69.3 m -74.9 -54.95 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.79 -41.68 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.858 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -58.82 -43.14 90.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.925 HD23 ' HB3' ' A' ' 84' ' ' TRP . 5.2 mp -63.53 -47.7 80.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.684 ' O ' HG21 ' A' ' 80' ' ' THR . . . -51.76 -77.83 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HZ1' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -61.47 -19.27 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.1 mtt 75.77 39.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.858 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -114.97 165.64 12.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CE ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -107.94 13.62 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.425 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 4.9 t-20 -50.67 137.24 20.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -68.64 -17.26 64.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -89.4 -21.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.7 m-20 -72.16 -26.46 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 50' ' ' LYS . 69.8 t -66.01 80.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 27.6 p -113.57 117.43 44.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.633 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.03 9.0 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 142.29 21.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.01 HD23 HD13 ' A' ' 73' ' ' LEU . 6.8 mt -70.63 53.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.6 51.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.31 0.82 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.01 HD13 HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -50.22 109.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.692 HG23 ' OE2' ' A' ' 77' ' ' GLU . 16.4 p -72.97 -169.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.64 -44.34 67.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.59 -50.45 60.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.794 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pm0 -74.79 -44.36 49.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.28 -29.84 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -84.92 -46.93 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.684 HG21 ' O ' ' A' ' 57' ' ' GLY . 20.7 m -74.67 -47.6 30.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.794 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.11 -56.54 20.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.4 m-20 -51.18 -34.58 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -34.57 59.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.925 ' HB3' HD23 ' A' ' 56' ' ' LEU . 11.8 m95 -60.38 -31.08 70.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -66.21 -49.61 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.831 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.3 m -60.68 -31.73 70.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.3 mtpt -75.14 -40.62 59.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -81.24 -44.61 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.646 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 5.6 tp10 -66.8 -33.77 76.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -96.14 34.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 90' ' ' ALA . 35.8 mttm -157.65 -56.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.736 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.0 m-85 -86.98 142.25 33.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 135.04 18.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 ' CD1' ' A' ' 29' ' ' PHE . 66.5 t -90.52 109.36 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.75 HG23 ' CE1' ' A' ' 3' ' ' PHE . 14.8 m -88.07 -13.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 173.06 -176.96 45.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.492 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -124.4 136.98 54.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.587 HG23 HG23 ' A' ' 28' ' ' VAL . 53.4 t -58.21 131.13 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.31 -50.19 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 96' ' ' GLY . 18.3 Cg_endo -75.02 -160.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.5 mmm -63.63 -35.73 81.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 3.3 mt-10 54.87 110.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 95' ' ' VAL . 48.0 m-85 -109.26 129.96 55.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.823 HG22 HG23 ' A' ' 99' ' ' VAL . 36.6 p -84.18 162.76 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -54.07 -28.24 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 14.7 mp0 -71.28 -47.88 54.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.741 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -42.28 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.415 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 5.3 tp -66.46 -24.44 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 4.1 m -79.0 -6.46 56.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 10.2 pt20 -117.82 28.86 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 25.3 m-85 -145.37 55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.539 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 10.9 p30 -113.21 16.63 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.64 98.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -176.86 -50.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.46 ' N ' ' CG2' ' A' ' 14' ' ' THR . 0.1 OUTLIER -57.21 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -44.85 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 18.75 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -48.56 135.83 12.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.95 155.03 43.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.515 HD13 ' CB ' ' A' ' 35' ' ' LYS . 1.4 mp -97.96 117.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.14 129.7 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 20.2 t -106.53 174.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.641 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -133.89 143.64 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HD3' ' A' ' 25' ' ' LYS . 3.3 mt -148.1 112.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.834 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.1 mtpp 59.94 17.58 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.42 16.16 35.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -112.01 126.63 55.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 95.9 t -83.57 121.54 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.647 ' CE1' HG22 ' A' ' 94' ' ' VAL . 41.2 m-85 -117.49 153.11 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.25 127.33 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.006 HG21 ' CD2' ' A' ' 38' ' ' TYR . 8.0 m -129.95 5.21 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.54 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.55 -25.2 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -56.5 -8.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.83 46.51 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -50.3 -24.01 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -18.67 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 43' ' ' ASP . 12.5 m-85 -108.21 -44.17 4.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.006 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.49 -39.88 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.83 176.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.5 p -37.51 133.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 36.2 87.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -153.17 178.0 30.48 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.82 -53.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.787 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.2 m-85 -103.28 59.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.55 -31.91 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.21 -26.74 33.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.711 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.8 m-30 -82.38 -35.02 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -46.55 127.28 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 55.77 32.85 59.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.686 ' HB3' HG21 ' A' ' 66' ' ' VAL . 6.5 mtpt -156.8 152.47 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.68 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 55.8 t0 -88.22 92.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.777 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -85.0 51.1 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -75.35 -47.97 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.958 ' HG2' HD21 ' A' ' 73' ' ' LEU . 8.3 mtm180 -67.04 -48.84 67.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.61 -31.58 69.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 52' ' ' ALA . 10.2 mt -73.7 -42.18 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -60.27 -77.67 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -58.51 -22.16 54.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtt 67.97 53.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -109.2 -15.68 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 60' ' ' SER . 1.3 pttt 52.89 20.73 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.537 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.0 m120 -70.66 139.77 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.25 -20.48 63.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.57 -20.62 22.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 16.6 m-20 -73.14 -46.86 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.01 116.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.459 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -132.99 129.73 21.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.68 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.03 6.08 3.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 126.48 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -86.85 50.6 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 16.6 pt-20 -88.71 51.27 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 165.67 -25.55 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.958 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -35.19 117.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.625 HG22 ' HG2' ' A' ' 77' ' ' GLU . 4.9 t -89.43 -179.98 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.558 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.23 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 1.3 ptpt -51.15 -51.53 52.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.802 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 pt-20 -80.02 -41.78 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -52.67 -47.27 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -49.88 -53.56 25.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.847 HG22 ' CD1' ' A' ' 84' ' ' TRP . 26.0 m -79.51 -46.68 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.834 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -56.7 -59.07 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.0 t-20 -51.83 -51.79 54.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.89 -32.8 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.847 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -58.72 -38.23 77.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.77 -45.11 95.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -65.97 -34.65 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -73.37 -42.67 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.5 OUTLIER -72.9 -42.95 63.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.02 -19.55 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.27 -16.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -65.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.2 m-85 -73.02 137.95 79.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.0 134.61 18.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.647 HG22 ' CE1' ' A' ' 29' ' ' PHE . 21.5 t -85.7 108.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.88 HG23 ' CE1' ' A' ' 3' ' ' PHE . 32.5 m -85.54 -5.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 0' ' ' PRO . . . 151.93 -173.76 31.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -112.72 144.85 41.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' A' ' 23' ' ' ALA . 3.2 t -61.47 112.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.823 HG23 HG22 ' A' ' 4' ' ' THR . 11.1 m -107.91 103.89 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo -74.98 -159.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 2' ' ' GLU . 59.1 mmm -73.82 -34.57 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.5 mp0 53.9 109.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.86 ' HB2' HG21 ' A' ' 28' ' ' VAL . 94.4 m-85 -107.86 128.53 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.4 p -78.99 161.83 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.81 -33.63 56.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.11 -47.36 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.765 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -73.58 -33.83 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 28' ' ' VAL . 1.2 tp -77.42 -24.89 50.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 11.1 t -79.41 -1.11 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.2 pt20 -116.84 29.15 8.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.765 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.5 m-85 -145.79 58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.591 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 2.0 p30 -109.32 2.89 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 78.9 95.71 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -175.75 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.415 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' N ' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -55.03 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.49 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 m -121.62 34.75 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.48 132.38 91.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.02 159.39 41.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.728 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.1 mp -100.9 122.39 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' HB3' HG13 ' A' ' 28' ' ' VAL . 19.1 m-30 -128.79 135.64 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.88 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 t -113.72 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -114.53 134.37 55.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.655 HG22 ' HD3' ' A' ' 25' ' ' LYS . 7.1 mt -146.16 110.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HD3' HG22 ' A' ' 24' ' ' ILE . 4.5 mtpp 70.41 12.93 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.03 17.11 33.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -115.06 129.98 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 8' ' ' LEU . 25.0 t -84.93 122.57 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 94' ' ' VAL . 44.0 m-85 -116.33 151.67 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.647 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.51 124.13 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.085 HG21 ' CD2' ' A' ' 38' ' ' TYR . 10.3 m -126.03 7.34 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.576 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -52.81 -25.63 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -54.49 -9.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.4 46.13 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -49.73 -23.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -17.91 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.3 m-85 -108.65 -42.62 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.085 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -93.09 -38.62 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.53 174.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' GLY . 28.9 t -37.87 129.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.15 83.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.64 -179.93 23.13 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -45.18 -50.45 11.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.8 m-85 -100.08 57.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -72.38 -32.1 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.99 -31.25 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 10.3 m-30 -77.14 -33.6 56.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -53.0 122.78 10.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.63 33.75 88.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB3' HG21 ' A' ' 66' ' ' VAL . 17.8 mttt -163.82 150.17 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 41.8 t0 -86.78 104.6 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.756 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -91.96 56.06 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.539 ' HB3' HD13 ' A' ' 81' ' ' LEU . 4.3 m -75.39 -56.87 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.65 ' HG2' HD21 ' A' ' 73' ' ' LEU . 1.8 mtm-85 -64.78 -42.29 95.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.703 HD22 ' CD2' ' A' ' 84' ' ' TRP . 15.0 mt -73.68 -47.78 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG21 ' A' ' 80' ' ' THR . . . -57.5 -69.95 1.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -62.92 -21.33 65.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 3.0 mtt 67.16 48.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.45 -28.47 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 20.8 mttt 61.83 28.33 17.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.515 ' O ' HG13 ' A' ' 66' ' ' VAL . 2.6 t-20 -87.28 133.31 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -17.39 62.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.0 -23.77 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 14.6 m-20 -76.23 -39.22 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -45.99 118.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.543 ' CB ' ' NH1' ' A' ' 54' ' ' ARG . 76.7 p -128.34 124.61 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.687 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 5.95 3.71 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 143.59 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.32 49.64 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.1 pt-20 -91.91 48.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 163.96 -23.24 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 77' ' ' GLU . 1.7 mm? -36.43 99.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.563 HG23 ' OE2' ' A' ' 77' ' ' GLU . 21.7 p -66.91 -172.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.98 -43.02 72.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 9.3 ptpt -52.57 -51.18 61.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.788 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pm0 -75.76 -39.59 56.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.551 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -52.23 -28.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -91.44 -42.25 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 57' ' ' GLY . 24.0 m -74.85 -42.66 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.788 ' N ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tp -61.62 -51.33 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -46.91 -60.03 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.703 ' CD2' HD22 ' A' ' 56' ' ' LEU . 1.2 m95 -59.24 -43.34 92.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.51 -50.59 70.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.8 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.7 m -58.99 -30.83 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 9.8 mttm -75.35 -42.31 54.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' CZ ' ' HE2' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.7 -42.75 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.99 -35.7 78.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.37 31.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 12.8 mttt -153.22 -52.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.85 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.3 m-85 -91.32 141.37 26.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.96 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.623 HG22 ' CD1' ' A' ' 29' ' ' PHE . 64.3 t -90.3 109.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.801 HG23 ' CE1' ' A' ' 3' ' ' PHE . 28.2 m -90.42 -12.01 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.96 -179.05 43.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -124.72 131.8 53.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.561 HG21 ' CB ' ' A' ' 23' ' ' ALA . 36.0 t -50.56 150.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -58.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.3 mtt -65.49 -35.21 80.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 2.1 mt-10 58.44 119.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.766 ' HB2' HG21 ' A' ' 28' ' ' VAL . 24.3 m-85 -110.34 130.02 55.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.434 HG22 HG23 ' A' ' 99' ' ' VAL . 69.7 p -79.33 154.69 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.68 -31.71 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.17 -46.34 56.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -73.39 -38.27 65.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.87 HD11 ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -60.77 -43.51 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.853 ' N ' HD13 ' A' ' 8' ' ' LEU . 9.1 t -57.55 -14.06 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 16.7 mt-30 -87.01 16.34 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 41.7 m-85 -147.19 56.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 3.5 p-10 -120.81 21.16 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.32 83.41 0.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -136.86 -62.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -79.91 -161.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.17 -54.07 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.2 m -77.58 -40.2 43.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 2.0 mmtm -40.56 116.73 1.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.05 176.58 9.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.855 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.4 mp -116.45 125.07 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.557 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.1 m-30 -129.27 136.69 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.846 HG21 ' CE1' ' A' ' 38' ' ' TYR . 41.4 t -114.95 149.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -109.52 136.04 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.667 HD11 ' CD2' ' A' ' 88' ' ' PHE . 4.4 mt -150.1 112.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.751 ' HD3' HD11 ' A' ' 81' ' ' LEU . 11.1 mmmm 71.52 11.47 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 97.66 12.57 46.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 5.2 ttm180 -112.71 129.61 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.766 HG21 ' HB2' ' A' ' 3' ' ' PHE . 75.2 t -87.56 123.03 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 51.9 m-85 -115.66 156.9 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.686 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.58 128.07 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 38' ' ' TYR . 16.3 m -131.3 7.71 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.57 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.44 -25.49 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -9.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -150.06 47.85 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -48.39 -24.04 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -61.82 -17.2 55.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 25.3 m-85 -108.12 -43.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.981 ' CD2' HG21 ' A' ' 31' ' ' VAL . 2.7 m-85 -97.6 -36.29 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -56.77 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 p -58.66 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 40' ' ' SER . . . -64.66 66.15 0.07 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.19 -135.31 4.97 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -105.67 -25.55 12.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.813 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -111.49 37.6 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 p -58.8 -31.88 68.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.606 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.23 -30.3 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 4.8 m-30 -80.01 -32.88 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -43.04 115.35 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.87 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 61.95 37.79 94.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.803 ' HB3' HG21 ' A' ' 66' ' ' VAL . 10.8 mtpt -153.88 144.94 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.745 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 66.1 t0 -77.23 79.44 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.572 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . -75.69 58.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.7 m -73.05 -54.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.641 ' HG2' HD22 ' A' ' 73' ' ' LEU . 7.2 mtm180 -61.81 -47.1 86.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -59.73 -35.6 74.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.631 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 11.3 mt -71.61 -45.86 60.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -58.66 -78.8 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.09 -18.74 10.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 10.7 mtp 75.57 29.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.658 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -98.12 163.27 12.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.8 mtpm? -110.56 38.29 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -81.63 130.37 35.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -72.26 -20.3 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.48 -22.02 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' NE ' ' A' ' 54' ' ' ARG . 2.6 m-20 -64.95 -48.91 72.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -48.82 118.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 124.34 23.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.745 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 4.74 4.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.7 145.06 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.667 HD11 ' HE3' ' A' ' 25' ' ' LYS . 50.2 mt -77.28 51.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.87 51.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 74' ' ' THR . . . 163.94 -26.17 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD22 ' HG2' ' A' ' 54' ' ' ARG . 4.1 mm? -50.73 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.8 p -75.12 -177.48 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -66.06 -43.3 87.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 5.4 ptpt -52.6 -52.37 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.768 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -75.27 -40.66 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -54.05 -47.21 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 3.4 m-20 -50.4 -52.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.682 HG22 ' CD1' ' A' ' 84' ' ' TRP . 21.7 m -79.57 -46.55 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -57.42 -57.2 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.626 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -52.8 -39.27 62.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 1.7 m-20 -75.62 -29.42 59.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.682 ' CD1' HG22 ' A' ' 80' ' ' THR . 2.6 m95 -60.17 -42.47 95.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -60.9 -45.74 93.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -65.45 -35.17 80.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -73.87 -43.06 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.667 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.8 m-85 -71.66 -42.76 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.88 -19.7 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.39 -14.43 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -114.84 -70.39 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.898 ' CD2' HG12 ' A' ' 31' ' ' VAL . 10.0 m-85 -67.93 142.13 95.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HG2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -74.99 137.6 21.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 29' ' ' PHE . 39.9 t -88.42 108.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG11 ' CE1' ' A' ' 21' ' ' TYR . 27.5 m -85.78 -9.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 159.72 -179.98 34.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.684 ' HG3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -117.24 134.29 54.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.556 HG21 ' HB1' ' A' ' 23' ' ' ALA . 7.0 t -46.6 163.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -149.48 -88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.431 ' H ' HG23 ' A' ' 99' ' ' VAL . 58.2 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.9 mtm -69.23 -36.33 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 12.9 mt-10 59.45 122.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.812 ' CE1' HG23 ' A' ' 95' ' ' VAL . 59.4 m-85 -109.74 128.9 55.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.1 p -78.24 155.44 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -52.14 -27.19 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.59 -48.05 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.715 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.77 -37.61 64.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 1.4 tp -72.55 -26.01 61.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 26.9 p -76.86 -5.25 47.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 11.7 pt20 -117.07 16.46 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.725 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 20.4 m-85 -131.21 64.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.7 p30 -123.92 13.15 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.29 98.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.07 -44.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.78 -158.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.32 -79.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 28.52 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' HD3' ' HD2' ' A' ' 19' ' ' PRO . 2.7 mmtm -69.27 131.51 90.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.725 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -75.0 162.5 37.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -107.17 110.41 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 17.5 m-85 -129.79 136.01 49.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.021 HG11 ' CZ ' ' A' ' 38' ' ' TYR . 1.8 m -116.06 149.22 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.49 150.99 26.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.676 HD11 ' CD1' ' A' ' 56' ' ' LEU . 3.6 mt -154.84 109.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.976 ' CD ' HD11 ' A' ' 81' ' ' LEU . 2.5 mmmp? 65.12 18.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.8 13.66 49.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.585 HH11 HG11 ' A' ' 94' ' ' VAL . 1.2 ttm-85 -112.9 129.35 56.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.801 HG21 ' HB2' ' A' ' 3' ' ' PHE . 99.4 t -87.17 121.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 27' ' ' ARG . 39.4 m-85 -114.14 142.83 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.639 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -88.75 123.76 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.976 HG21 ' CG ' ' A' ' 38' ' ' TYR . 10.3 m -125.51 1.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.526 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -52.04 -25.37 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.96 -10.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.76 49.32 0.49 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.4 ptmt -49.14 -23.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -18.28 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 43' ' ' ASP . 87.0 m-85 -108.68 -43.58 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.021 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -92.07 -39.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.99 175.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -36.51 130.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.81 87.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -151.02 -179.65 26.94 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -41.24 -51.62 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.851 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.6 m-85 -103.97 58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -72.98 -28.66 62.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -84.3 -32.8 24.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.696 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 5.0 m-30 -75.53 -33.72 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -48.51 126.56 11.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.9 37.33 52.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 7.8 mtpt -161.29 150.53 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.723 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 29.2 t0 -80.81 102.79 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.675 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -91.56 52.5 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.88 -54.82 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.903 ' HG2' HD21 ' A' ' 73' ' ' LEU . 4.2 mtm180 -67.44 -40.32 85.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.795 ' HB2' ' OD1' ' A' ' 65' ' ' ASP . . . -59.11 -44.39 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.676 ' CD1' HD11 ' A' ' 24' ' ' ILE . 8.1 mt -71.73 -44.9 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -56.96 -74.15 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -60.92 -27.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 74.94 38.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -33.51 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.5 mttt 72.12 10.91 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.1 m120 -72.2 140.25 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -19.42 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.03 -18.32 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.795 ' OD1' ' HB2' ' A' ' 55' ' ' ALA . 1.3 p30 -81.96 -34.36 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.577 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -48.87 118.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 8.0 p -123.67 122.69 26.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.723 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.07 9.7 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.571 1.827 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.22 138.93 14.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.853 HD23 ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -76.95 52.54 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.11 13.86 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.14 28.74 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.903 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -90.07 121.49 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.607 HG22 ' HG2' ' A' ' 77' ' ' GLU . 4.7 t -86.96 -178.65 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.568 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -65.94 -41.46 91.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -50.65 -50.8 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.892 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.3 pt-20 -80.99 -42.81 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.568 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER -47.85 -27.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -86.8 -45.51 10.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.983 HG22 ' CD1' ' A' ' 84' ' ' TRP . 95.5 m -77.81 -45.55 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.976 HD11 ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.57 -57.19 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.568 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.6 m-80 -53.12 -47.53 68.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -67.35 -34.43 77.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.983 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.6 m95 -63.76 -39.27 93.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -62.06 -44.28 97.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.87 -33.47 76.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 2.1 mttt -73.43 -43.83 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -72.43 -41.74 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.87 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.37 -14.33 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -65.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.786 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.4 m-85 -74.69 140.4 74.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 134.46 17.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.585 HG11 HH11 ' A' ' 27' ' ' ARG . 47.2 t -89.25 107.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.812 HG23 ' CE1' ' A' ' 3' ' ' PHE . 33.0 m -85.52 -13.06 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 163.0 -179.44 38.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.526 ' NH2' HG12 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -114.45 140.68 48.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 2.5 t -47.58 165.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.527 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.48 -84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -168.84 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 56.0 mmm -64.95 -27.33 68.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.9 mt-10 55.96 111.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.66 ' HB2' HG21 ' A' ' 28' ' ' VAL . 66.6 m-85 -107.89 129.37 55.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.499 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 64.7 p -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.51 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 1.4 mt-10 -71.36 -47.23 57.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -74.88 -41.08 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.85 HD13 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -59.95 -36.27 76.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -68.85 -7.63 36.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 52.5 mm-40 -85.33 -27.86 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.655 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -102.64 65.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -111.5 11.17 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 66.96 91.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 173.8 -37.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -160.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.37 -56.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.32 59.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 3.3 mmtt -120.7 135.44 24.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.95 -170.56 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.3 mt -123.61 102.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 1.096 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 8.5 m-30 -120.14 134.38 55.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.973 HG11 ' OH ' ' A' ' 38' ' ' TYR . 9.8 t -114.06 148.68 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -109.18 131.29 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.574 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 3.9 mt -137.2 109.56 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 4.3 mtpp 68.56 12.69 8.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 100.06 13.94 35.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HD3' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -114.03 127.02 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.85 HG22 HD13 ' A' ' 8' ' ' LEU . 26.0 t -81.1 122.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 37.7 m-85 -115.27 159.06 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.567 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -101.81 125.36 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.034 HG21 ' CD2' ' A' ' 38' ' ' TYR . 5.1 m -127.73 6.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.567 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.52 -25.68 7.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 p -56.32 -9.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.9 45.74 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.6 pttt -49.44 -24.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.39 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 42.5 m-85 -107.72 -43.23 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.034 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -94.67 -39.02 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -48.25 178.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.2 p -37.81 132.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.84 82.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -142.46 177.91 21.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 48.8 m-20 -45.88 -50.95 13.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.837 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.4 m-85 -97.8 56.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 3.1 m -73.07 -33.51 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.537 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.53 -22.82 34.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.704 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.5 m-30 -84.23 -35.6 23.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.17 134.86 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 49.94 32.73 19.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.652 ' HB3' HG21 ' A' ' 66' ' ' VAL . 35.5 mtpt -157.23 152.19 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.697 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 62.7 t0 -90.43 94.14 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.952 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -84.83 49.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 p -75.48 -47.57 26.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 73' ' ' LEU . 4.8 mtm180 -63.85 -47.93 78.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -57.97 -41.05 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.952 HD13 ' O ' ' A' ' 52' ' ' ALA . 5.0 mp -57.65 -37.01 72.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.96 -81.45 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.3 OUTLIER -56.84 -26.09 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.669 ' SD ' HG21 ' A' ' 80' ' ' THR . 0.0 OUTLIER 68.93 50.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 -17.69 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 46' ' ' MET . 0.4 OUTLIER 60.21 14.4 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.575 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.0 m120 -61.85 139.89 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -72.08 -20.69 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -22.1 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 5.3 m-20 -72.19 -47.9 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.661 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -47.62 118.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -136.12 136.33 22.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.697 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 6.97 3.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.58 133.58 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.22 23.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.83 58.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.12 -26.79 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -46.85 111.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.847 HG23 ' OE2' ' A' ' 77' ' ' GLU . 27.9 p -78.31 -171.37 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.61 -42.75 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 4.8 ptpt -51.78 -51.93 52.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.847 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.3 pm0 -75.01 -41.14 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -56.47 -49.72 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -51.75 -47.61 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.669 HG21 ' SD ' ' A' ' 59' ' ' MET . 48.9 m -80.56 -49.94 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.39 -58.59 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -49.12 -35.41 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.18 -32.92 56.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.926 ' HB3' HD23 ' A' ' 56' ' ' LEU . 21.0 m95 -59.78 -30.68 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -65.07 -52.01 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.2 m -58.69 -30.22 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.592 ' HE2' ' CE3' ' A' ' 84' ' ' TRP . 10.5 mtpt -77.91 -40.85 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.613 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.0 OUTLIER -81.22 -39.39 25.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -70.7 -33.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -89.45 19.84 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 3.8 mttt -146.07 -61.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.903 ' CD2' HG12 ' A' ' 31' ' ' VAL . 18.1 m-85 -86.87 128.45 56.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.98 24.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.8 OUTLIER -93.14 109.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.096 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 32.3 m -89.53 2.91 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 169.49 173.44 37.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.672 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.91 127.32 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' GLY . 14.0 t -44.81 146.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -151.59 -52.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.522 ' N ' HG12 ' A' ' 99' ' ' VAL . 48.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmm -62.91 -38.25 90.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.2 mt-10 57.51 115.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.853 ' HB2' HG21 ' A' ' 28' ' ' VAL . 46.5 m-85 -109.32 130.64 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.433 ' HB ' ' C ' ' A' ' 100' ' ' SER . 41.7 p -76.41 154.77 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.44 -30.01 38.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.7 mt-10 -72.02 -46.12 58.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -73.2 -42.33 62.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD13 HG22 ' A' ' 28' ' ' VAL . 1.5 tp -58.43 -33.47 69.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -70.55 -7.13 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 8.4 mt-30 -99.21 6.59 46.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 71.6 m-85 -131.46 57.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 1.2 p-10 -107.11 11.36 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.59 95.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.74 -172.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 -94.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LYS . 35.1 m -109.92 -3.93 16.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -35.73 127.36 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.02 166.25 29.57 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.801 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.0 mp -100.62 123.72 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HB3' HG13 ' A' ' 28' ' ' VAL . 20.7 m-30 -129.04 129.4 45.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.865 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 10.9 t -109.61 151.99 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -109.38 131.96 54.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD11 HD13 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -136.16 110.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.773 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.7 mtpm? 63.7 15.36 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.57 16.69 28.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.672 ' CD ' ' CZ ' ' A' ' 29' ' ' PHE . 14.2 ttm180 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.853 HG21 ' HB2' ' A' ' 3' ' ' PHE . 41.1 t -82.0 120.88 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.672 ' CZ ' ' CD ' ' A' ' 27' ' ' ARG . 31.8 m-85 -112.93 167.76 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -111.56 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.037 HG21 ' CD2' ' A' ' 38' ' ' TYR . 6.2 m -128.47 6.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.524 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.07 -23.88 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -54.71 -10.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.52 49.45 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -49.57 -27.47 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.546 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -59.39 -15.17 15.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CA ' ' HB2' ' A' ' 43' ' ' ASP . 13.7 m-85 -108.9 -43.2 4.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.037 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -96.0 -40.37 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -59.07 -104.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.41 74.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 36' ' ' SER . . . -148.93 -44.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.619 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . 129.12 131.87 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.626 ' HB2' ' CA ' ' A' ' 37' ' ' PHE . 1.3 m-20 145.07 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.903 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 8.2 m-85 -147.19 20.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -28.64 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.947 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.08 -26.02 34.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.758 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 11.7 m-30 -87.49 -34.63 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 127.97 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 58.24 30.99 65.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.8 mtpt -158.99 151.07 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.734 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 46.6 t0 -85.82 109.09 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -96.85 52.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -53.43 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.679 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.92 -45.01 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.72 -34.78 73.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 52' ' ' ALA . 15.4 mt -72.17 -47.08 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -60.33 -68.94 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 9.8 mttm -60.48 -26.59 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtp 67.67 48.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -22.55 12.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 60.38 20.14 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 24.5 t-20 -70.18 129.29 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -57.5 -18.87 21.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.31 -22.03 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 7.5 m-20 -75.75 -17.94 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -71.03 92.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 63.5 p -115.23 127.95 26.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.734 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 6.0 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.74 122.42 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -78.48 54.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.57 14.59 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.51 24.2 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.679 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -80.56 102.62 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.063 HG22 ' CD ' ' A' ' 77' ' ' GLU . 9.0 t -70.82 -170.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 1.3 mt-10 -69.44 -42.25 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.91 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 1.063 ' CD ' HG22 ' A' ' 74' ' ' THR . 1.9 pm0 -75.28 -44.09 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.21 -29.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -86.19 -46.68 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.705 HG22 ' CD1' ' A' ' 84' ' ' TRP . 22.1 m -75.89 -46.85 27.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.27 -56.02 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.558 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.8 m-20 -48.6 -54.72 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.705 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -59.83 -40.76 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 4.3 tt0 -60.99 -49.37 77.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 m -59.98 -32.96 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.1 mttm -76.48 -39.1 54.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -77.95 -40.11 40.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.91 -30.96 64.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -84.0 8.77 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -136.76 -62.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.914 ' CG ' HG12 ' A' ' 31' ' ' VAL . 22.3 m-85 -84.88 127.95 62.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 144.46 30.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -97.62 111.28 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.6 10.16 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 160.74 171.05 26.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -119.83 127.05 52.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.591 HG21 ' HB1' ' A' ' 23' ' ' ALA . 9.5 t -46.22 126.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -89.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.433 ' C ' ' HB ' ' A' ' 4' ' ' THR . 71.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' PRO . . . . . 0.543 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.3 Cg_endo -74.98 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 47.3 mtp -72.31 -33.33 67.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.8 mt-10 52.49 105.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.829 ' HB2' HG21 ' A' ' 28' ' ' VAL . 65.4 m-85 -108.2 131.22 54.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -75.1 155.1 37.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.53 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 31.6 mt-10 -71.5 -46.6 59.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.593 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 58.2 mm-40 -72.95 -37.15 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.023 HD13 HG22 ' A' ' 28' ' ' VAL . 1.1 tp -65.78 -30.02 70.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -76.69 4.14 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 25.9 mt-30 -99.51 13.71 32.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 33.7 m-85 -139.33 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.585 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -89.77 16.39 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.11 103.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 175.48 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 7.1 m-20 -71.09 -174.95 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.55 -51.46 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.8 m -95.22 -49.5 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -37.87 122.75 1.0 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.98 -162.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.9 mp -123.89 118.13 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.649 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.1 m-30 -124.7 138.2 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.961 HG11 ' OH ' ' A' ' 38' ' ' TYR . 4.1 t -116.84 149.89 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.26 132.3 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 ' CG2' ' HB2' ' A' ' 85' ' ' GLU . 4.8 mt -142.16 112.24 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.679 ' HE3' HD23 ' A' ' 70' ' ' LEU . 10.3 mmmm 67.11 13.4 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.13 33.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HD3' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -116.09 128.49 55.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.023 HG22 HD13 ' A' ' 8' ' ' LEU . 39.9 t -82.26 121.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 52.3 m-85 -116.79 146.27 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 1.9 m-20 -92.73 131.05 38.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.103 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.1 m -132.44 8.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -52.01 -24.41 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.448 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -56.6 -9.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.32 46.52 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -50.1 -23.46 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.88 -18.26 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 11.3 m-85 -108.18 -45.12 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.103 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -91.07 -37.57 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -43.27 169.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.9 t -36.08 126.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.8 87.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.84 -177.34 26.34 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -40.09 -50.72 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.823 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.9 m-85 -105.92 60.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -74.07 -32.56 63.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.95 -29.61 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.598 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 8.9 m-30 -78.36 -34.25 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -47.13 131.25 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 46.93 37.09 9.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.734 ' HB3' HG11 ' A' ' 66' ' ' VAL . 3.2 mtpm? -158.54 149.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.764 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.866 ' O ' HG13 ' A' ' 66' ' ' VAL . 13.2 t0 -88.1 119.9 28.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -109.97 60.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.43 ' HB3' HD22 ' A' ' 81' ' ' LEU . 1.2 m -74.03 -55.9 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.844 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -69.08 -40.58 78.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -60.41 -41.37 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 34.7 mt -70.02 -49.36 52.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.725 ' O ' HG21 ' A' ' 80' ' ' THR . . . -54.93 -75.16 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -21.03 56.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.8 mtp 74.99 45.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.756 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -124.08 143.71 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -90.69 20.88 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . 2.8 m120 -57.28 148.09 23.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.18 -24.14 51.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.67 -20.96 23.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 2.7 m-20 -68.88 -17.37 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 51' ' ' ASP . 21.8 t -80.95 98.73 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -120.9 125.16 27.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.791 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -74.98 6.23 3.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.511 1.796 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.12 140.14 22.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.679 HD23 ' HE3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -73.69 54.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.5 pt-20 -98.32 67.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.48 -8.99 2.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 54' ' ' ARG . 1.9 mm? -57.49 108.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 1.4 p -78.79 -169.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.15 -43.07 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.06 -51.24 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -76.72 -44.99 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.53 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.83 -30.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -83.69 -44.46 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.725 HG21 ' O ' ' A' ' 57' ' ' GLY . 19.9 m -75.89 -47.13 26.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -58.44 -54.9 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 4.3 m-20 -45.79 -52.36 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -63.72 -38.58 91.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -59.31 -45.08 92.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 6.7 tt0 -61.43 -49.2 77.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.7 m -60.22 -32.54 71.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 12.1 mttm -76.06 -39.75 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER -78.56 -40.5 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.74 -30.08 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -87.81 0.84 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -126.24 -68.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.897 ' CG ' HG12 ' A' ' 31' ' ' VAL . 14.2 m-85 -76.47 133.1 71.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.05 137.32 21.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -94.01 108.57 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.536 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 13.2 m -86.0 3.35 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 165.23 172.78 33.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.567 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.56 129.75 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.577 HG21 ' HB1' ' A' ' 23' ' ' ALA . 55.9 t -50.69 149.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 -51.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.618 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -90.1 34.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.4 mt-10 -17.86 121.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.834 ' HB2' HG21 ' A' ' 28' ' ' VAL . 29.4 m-85 -108.24 130.8 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 100' ' ' SER . 58.6 p -81.8 152.0 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.11 -28.81 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.26 -47.13 58.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.1 mp0 -74.15 -41.49 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.801 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.796 ' N ' HD13 ' A' ' 8' ' ' LEU . 43.4 t -58.25 -13.19 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 7.4 mm100 -77.5 -13.48 59.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE2' ' HG3' ' A' ' 18' ' ' LYS . 14.8 m-85 -128.95 68.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -119.74 21.78 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.66 ' O ' HG23 ' A' ' 14' ' ' THR . . . 80.58 86.66 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -159.43 -44.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 110.405 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.449 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 2.1 m-20 -83.46 -176.02 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -94.59 -79.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -57.2 -49.22 76.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.614 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -41.36 121.53 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 -169.37 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.4 mp -123.74 129.8 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.557 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.4 m-30 -127.38 138.79 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.964 HG11 ' OH ' ' A' ' 38' ' ' TYR . 6.2 t -118.25 147.44 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.631 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -107.66 137.58 45.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.633 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.8 mt -147.62 110.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.696 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.1 mtpm? 67.79 13.07 9.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.41 15.51 32.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 1.2 ttm180 -114.59 131.03 56.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' ' 3' ' ' PHE . 85.1 t -88.35 126.99 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' HG22 ' A' ' 94' ' ' VAL . 49.1 m-85 -121.43 151.87 39.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.62 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.34 126.13 42.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.076 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.2 m -128.73 5.81 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.573 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.03 -23.63 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 33' ' ' THR . 25.5 p -55.58 -9.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.5 48.12 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.3 pttt -49.28 -25.03 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -17.53 15.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.607 ' O ' ' N ' ' A' ' 43' ' ' ASP . 74.3 m-85 -109.08 -41.9 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.076 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -96.54 -37.64 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -53.22 -115.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.12 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.057 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 64.19 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.98 -139.8 7.21 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.6 m-20 -94.9 -32.13 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 m-85 -110.84 49.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 p -66.41 -31.64 72.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.532 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.88 -30.07 24.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.9 m-30 -72.65 -36.01 67.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -45.3 126.18 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.796 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 49.74 39.68 31.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' HG11 ' A' ' 66' ' ' VAL . 21.1 mtmt -156.86 139.64 15.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.734 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 11.9 t0 -77.04 112.86 14.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.717 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -104.96 58.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 73' ' ' LEU . 27.1 p -74.21 -54.03 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.7 mtm180 -67.49 -40.59 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -61.01 -45.19 95.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.943 HD23 ' HB3' ' A' ' 84' ' ' TRP . 5.1 mp -61.48 -48.83 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.597 ' O ' HG21 ' A' ' 80' ' ' THR . . . -52.3 -80.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG3' ' OE1' ' A' ' 77' ' ' GLU . 2.4 mttm -56.53 -20.94 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 mtp 74.25 42.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.6 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -115.04 168.84 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -110.5 17.76 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.6 146.3 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.22 -23.58 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -20.5 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 11.6 m-20 -68.54 -26.11 65.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -78.17 90.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 2.3 t -119.09 129.48 25.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.734 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.0 7.94 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -150.77 106.43 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.711 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -33.02 -48.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.69 ' C ' ' O ' ' A' ' 70' ' ' LEU . 16.4 mt-10 -0.81 77.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 138.63 -39.08 1.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -40.48 114.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.838 HG23 ' OE2' ' A' ' 77' ' ' GLU . 29.2 p -77.97 -170.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -69.2 -42.23 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.4 ptpt -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.838 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.8 pm0 -75.46 -42.11 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.98 -28.21 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -84.76 -47.31 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 57' ' ' GLY . 24.2 m -75.12 -46.96 31.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.759 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -55.97 -54.67 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.506 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.3 m120 -53.37 -37.82 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -71.39 -34.55 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.943 ' HB3' HD23 ' A' ' 56' ' ' LEU . 12.7 m95 -61.34 -38.43 86.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -67.53 -47.28 70.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -63.19 -33.7 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.5 mttt -73.72 -39.66 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.633 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.1 m-30 -75.8 -42.95 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.9 -19.46 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -90.5 -9.82 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -69.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.964 ' CD2' HG12 ' A' ' 31' ' ' VAL . 11.2 m-85 -67.2 138.89 94.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.01 139.49 24.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' CE1' ' A' ' 29' ' ' PHE . 35.3 t -91.84 109.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.9 m -88.13 -6.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.97 -176.94 38.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.617 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -126.96 129.37 48.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.631 HG21 ' HB1' ' A' ' 23' ' ' ALA . 37.8 t -45.13 150.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.439 HG21 ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -152.42 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 99' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.5 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 mmm -65.87 -35.36 80.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.3 mt-10 57.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.725 ' HB2' HG21 ' A' ' 28' ' ' VAL . 9.4 m-85 -109.9 129.98 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.562 HG22 HG23 ' A' ' 99' ' ' VAL . 38.2 p -80.89 158.49 25.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -27.11 19.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 2.4 mt-10 -72.82 -47.32 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -73.93 -41.87 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.41 -34.95 71.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 t -69.58 -6.96 34.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 3.8 mt-30 -103.13 16.9 25.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 48.0 m-85 -140.96 56.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.49 4.32 30.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 76.18 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.09 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -62.34 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -53.11 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.09 23.81 11.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.955 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -61.59 134.14 93.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.99 162.23 37.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.591 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.2 mp -104.15 121.6 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.933 ' CE1' HG11 ' A' ' 95' ' ' VAL . 22.6 m-85 -129.62 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.872 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 14.2 t -121.21 152.16 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.46 136.34 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.493 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -140.39 112.43 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.668 ' HD3' HD11 ' A' ' 81' ' ' LEU . 5.0 mmmt 57.58 19.91 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.59 15.24 38.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.527 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -112.06 128.08 56.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 88.4 t -84.04 123.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m-85 -120.29 153.65 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -104.26 125.63 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.114 HG21 ' CD2' ' A' ' 38' ' ' TYR . 20.2 m -123.91 11.03 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -52.57 -27.58 17.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -9.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.96 46.12 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 39' ' ' GLY . 2.9 ptmt -51.09 -24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -17.74 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 43' ' ' ASP . 96.8 m-85 -108.42 -43.15 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.114 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -92.59 -39.29 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.18 176.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -36.88 133.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.3 80.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -141.68 179.29 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -45.23 -50.15 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.7 m-85 -100.86 59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.2 t -73.87 -32.74 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.15 -28.11 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.5 m-30 -78.54 -36.36 44.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -47.9 121.78 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.11 32.8 85.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.789 ' HB3' HG21 ' A' ' 66' ' ' VAL . 12.7 mttt -157.04 152.0 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.734 ' C ' HG23 ' A' ' 66' ' ' VAL . 54.3 t0 -86.86 87.74 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.742 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -83.23 51.55 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 p -74.77 -48.05 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.543 ' HG2' HD21 ' A' ' 73' ' ' LEU . 6.6 mtm180 -68.1 -45.68 73.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.28 -36.88 76.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 8.2 mt -70.76 -40.37 72.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.718 ' O ' HG21 ' A' ' 80' ' ' THR . . . -59.84 -76.54 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.105 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.6 OUTLIER -61.32 -21.63 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.94 45.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -97.06 -37.28 10.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 2.9 mtmm 76.06 12.85 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.85 137.04 57.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -66.65 -21.98 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.1 -20.45 22.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.8 m-20 -69.58 -46.01 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.789 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.97 118.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' NE ' ' A' ' 54' ' ' ARG . 9.7 p -130.27 126.29 22.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.718 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 5.66 3.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.43 155.45 44.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.87 50.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.57 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.85 -27.46 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.879 HD12 ' OE1' ' A' ' 77' ' ' GLU . 3.4 mm? -45.05 101.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.716 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 30.4 p -82.6 -174.91 5.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -67.63 -45.16 76.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 3.6 ptpt -52.04 -48.46 64.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.879 ' OE1' HD12 ' A' ' 73' ' ' LEU . 2.3 pp20? -75.38 -40.26 58.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -50.56 -25.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -86.13 -43.91 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.718 HG21 ' O ' ' A' ' 57' ' ' GLY . 17.9 m -79.23 -47.4 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -56.54 -55.66 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.9 m120 -47.76 -56.36 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -34.06 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.87 -37.33 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.007 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.53 -44.29 96.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -63.58 -32.79 74.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 84' ' ' TRP . 6.2 mtpt -73.57 -43.13 60.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' TYR . 2.2 m-85 -77.21 -36.95 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 5.9 mm-40 -72.53 -30.58 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -97.5 23.9 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 21.8 mttm -150.71 -67.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.905 ' CD2' HG12 ' A' ' 31' ' ' VAL . 16.4 m-85 -79.79 133.66 58.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 145.46 31.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.432 HG11 HH11 ' A' ' 27' ' ' ARG . 34.6 t -91.9 108.51 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.933 HG11 ' CE1' ' A' ' 21' ' ' TYR . 2.5 m -85.23 -3.46 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 155.48 -174.65 33.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -122.11 135.67 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.54 HG21 ' HB1' ' A' ' 23' ' ' ALA . 22.3 t -56.81 128.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.562 HG23 HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -108.38 -55.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo -75.06 -160.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' GLU . 12.3 mtt -74.32 -33.63 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' HG2' ' NE ' ' A' ' 97' ' ' ARG . 1.4 mp0 54.96 109.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.784 ' HB2' HG21 ' A' ' 28' ' ' VAL . 25.6 m-85 -108.32 128.48 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.486 HG22 HG23 ' A' ' 99' ' ' VAL . 68.9 p -79.68 155.26 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.68 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.5 -46.04 56.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.548 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.0 tm0? -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.861 HD11 ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -58.35 -43.0 88.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.812 ' N ' HD13 ' A' ' 8' ' ' LEU . 76.8 p -58.17 -14.91 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 8.0 mm100 -70.6 -12.51 61.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 21.5 m-85 -132.58 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.6 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 13.2 p30 -93.39 22.96 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.96 105.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 174.68 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 14.5 m-20 -83.3 -175.5 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -98.21 -82.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -42.25 85.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -49.01 123.07 12.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.605 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.05 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.928 HG21 ' HB3' ' A' ' 38' ' ' TYR . 4.8 mt -125.19 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.652 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.0 m-30 -127.76 134.76 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 15.4 t -113.33 150.1 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.27 132.22 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.616 HG22 ' HB2' ' A' ' 85' ' ' GLU . 82.9 mt -147.2 115.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.871 ' HD2' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 68.51 12.81 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.65 13.58 50.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.4 ttm-85 -114.33 133.75 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' ' 3' ' ' PHE . 54.0 t -87.73 121.6 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CD1' HG22 ' A' ' 94' ' ' VAL . 57.4 m-85 -115.37 151.16 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.664 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.24 127.77 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.899 HG12 ' CE2' ' A' ' 92' ' ' TYR . 32.6 m -129.45 5.52 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.547 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.44 -22.47 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 33' ' ' THR . 30.2 p -53.94 -9.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -149.23 53.19 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -49.84 -24.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -16.34 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.627 ' O ' ' N ' ' A' ' 43' ' ' ASP . 38.3 m-85 -107.56 -32.39 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.928 ' HB3' HG21 ' A' ' 20' ' ' ILE . 5.3 m-85 -106.38 -40.1 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.37 172.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 t -33.3 136.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 38.26 54.27 2.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -106.14 168.3 14.86 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.2 m-20 -39.55 -56.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.637 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 4.0 m-85 -92.21 37.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLY . 62.5 p -52.04 -23.73 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -85.35 -32.14 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.637 ' CD2' ' HB3' ' A' ' 44' ' ' TYR . 6.8 m-30 -78.39 -34.97 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -43.1 113.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.861 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 60.08 38.7 94.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' HB3' HG11 ' A' ' 66' ' ' VAL . 1.5 mtpm? -156.31 143.02 18.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.653 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 5.9 t0 -84.07 101.33 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -93.52 59.57 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.723 ' HA ' HD23 ' A' ' 81' ' ' LEU . 14.9 m -74.08 -53.91 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.62 -36.56 78.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.525 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -68.23 -38.0 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 52' ' ' ALA . 25.7 mt -71.29 -46.87 59.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -50.87 -74.15 0.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.7 OUTLIER -64.27 -20.23 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 5.9 mtp 67.35 50.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.89 -32.33 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 47' ' ' PHE . 0.9 OUTLIER 72.28 4.75 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 64' ' ' GLU . 8.9 t-20 -57.36 136.82 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.48 59.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.513 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -91.13 -22.42 20.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-20 -81.41 4.36 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 50' ' ' LYS . 2.7 t -91.08 96.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 4.2 p -123.74 123.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.653 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.25 109.73 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.871 HD11 ' HD2' ' A' ' 25' ' ' LYS . 20.3 mt -37.52 -48.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 41.7 mt-10 -2.06 81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 127.88 -34.05 3.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD13 HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -49.2 110.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.024 HG22 ' CD ' ' A' ' 77' ' ' GLU . 7.6 t -80.58 -169.16 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.476 ' N ' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -68.52 -40.83 80.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.01 -52.82 48.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 1.024 ' CD ' HG22 ' A' ' 74' ' ' THR . 1.5 pm0 -75.48 -43.83 47.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -53.75 -47.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -51.08 -53.86 30.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.936 HG22 ' CD1' ' A' ' 84' ' ' TRP . 52.7 m -78.75 -46.82 18.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.781 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -56.67 -57.1 13.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 78' ' ' ILE . 8.5 t-20 -55.68 -50.81 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.455 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 5.9 t0 -63.49 -31.69 72.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.936 ' CD1' HG22 ' A' ' 80' ' ' THR . 3.2 m95 -58.98 -41.85 88.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.616 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -61.9 -45.31 94.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -64.66 -34.3 77.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' OD1' ' A' ' 83' ' ' ASP . 36.6 mtpt -74.38 -42.47 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 24' ' ' ILE . 1.5 m-85 -73.36 -42.75 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.78 -18.62 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -92.71 -10.65 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -120.13 -71.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.899 ' CE2' HG12 ' A' ' 31' ' ' VAL . 11.8 m-85 -65.46 141.05 97.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG2' ' HB3' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.05 138.2 22.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 29' ' ' PHE . 32.9 t -91.61 110.02 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.54 -9.61 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.9 177.41 38.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -121.71 131.71 54.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 23' ' ' ALA . 51.5 t -49.69 146.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.486 HG23 HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -131.23 -48.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' GLU . 36.8 mtp -78.38 -28.2 46.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.9 mt-10 49.33 99.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' A' ' 97' ' ' ARG . 80.4 m-85 -107.18 134.19 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 p -80.14 151.69 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 -30.49 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 13.2 mt-10 -66.99 -48.27 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 2.1 mp0 -75.19 -43.32 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.705 HD13 HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -59.88 -36.62 77.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 t -67.04 -8.59 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 48.5 mm-40 -84.89 -27.14 26.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.624 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -105.93 53.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.888 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -88.91 13.49 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 65.64 89.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.41 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.432 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -67.99 -157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.62 -61.3 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LYS . 5.6 m -83.23 -48.07 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -38.65 119.37 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.99 -164.32 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.2 mt -124.4 103.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 1.037 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 10.8 m-30 -120.45 139.84 52.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.809 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 61.9 t -112.89 165.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.686 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -130.62 130.45 43.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.831 HD11 ' CD2' ' A' ' 56' ' ' LEU . 2.0 mt -142.74 109.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CG ' HD11 ' A' ' 81' ' ' LEU . 6.1 mtpp 70.4 13.03 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.488 ' C ' ' HB ' ' A' ' 98' ' ' VAL . . . 97.55 12.73 46.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -108.78 125.92 52.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.865 HG23 HG23 ' A' ' 98' ' ' VAL . 17.4 t -81.15 121.98 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 47.9 m-85 -116.85 153.53 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.632 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -100.09 123.28 44.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.06 HG21 ' CD2' ' A' ' 38' ' ' TYR . 9.0 m -123.25 5.57 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.562 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.41 -25.31 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -55.43 -9.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.06 49.3 0.52 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.03 -23.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -17.59 26.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' ASP . 60.7 m-85 -108.19 -41.6 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.06 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -96.56 -36.72 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.68 -179.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.0 t -33.71 125.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.64 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -144.01 -175.43 17.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -47.09 -47.25 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.869 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 7.1 m-85 -101.15 57.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -73.06 -32.04 64.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -29.94 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.609 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 15.9 m-30 -77.76 -36.66 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.888 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -47.06 127.91 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 51.81 34.55 37.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.789 ' HB3' HG11 ' A' ' 66' ' ' VAL . 11.3 mttm -157.04 149.61 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.889 ' O ' HG13 ' A' ' 66' ' ' VAL . 28.7 t0 -86.48 124.4 32.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.609 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -115.71 54.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.3 t -75.01 -56.33 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.665 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.1 -34.45 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . . . -59.88 -46.07 90.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.985 HD23 ' HB3' ' A' ' 84' ' ' TRP . 3.2 mp -62.69 -44.95 94.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.593 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.33 -76.07 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' CE ' ' HD3' ' A' ' 54' ' ' ARG . 17.5 mttm -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 79.9 mtp 67.63 54.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -109.45 -21.07 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.94 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 54.45 18.75 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.626 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.0 m120 -62.17 155.77 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.65 -21.14 45.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.1 -35.24 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.766 ' CG ' ' HB2' ' A' ' 55' ' ' ALA . 43.3 p30 -56.71 -24.07 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 51' ' ' ASP . 52.8 t -48.02 104.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -116.39 108.9 44.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.761 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.2 2.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.17 135.76 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -79.24 52.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -101.41 55.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.56 -26.19 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -40.39 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.869 HG23 ' OE2' ' A' ' 77' ' ' GLU . 27.0 p -77.69 -172.35 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.27 -43.11 78.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.94 -51.29 58.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.869 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.6 pm0 -76.69 -41.65 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.54 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -52.16 -28.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.18 -47.44 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 57' ' ' GLY . 56.7 m -74.42 -46.77 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.775 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -58.33 -56.37 22.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.547 ' N ' HD13 ' A' ' 81' ' ' LEU . 5.1 m-20 -46.8 -49.04 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -61.41 -38.97 89.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.985 ' HB3' HD23 ' A' ' 56' ' ' LEU . 7.0 m95 -61.92 -35.98 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -63.53 -50.69 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.822 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.5 m -60.56 -30.37 69.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.2 mtpm? -75.72 -40.44 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' CD2' ' HD2' ' A' ' 92' ' ' TYR . 1.2 m-85 -81.25 -42.78 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.599 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.91 -35.49 76.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.61 30.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 73.3 mttt -152.3 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.894 ' CD2' HG12 ' A' ' 31' ' ' VAL . 16.3 m-85 -91.18 133.83 31.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.01 137.07 21.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 28' ' ' VAL . 38.3 t -84.08 106.69 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.037 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 28.3 m -82.25 -33.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.452 ' C ' ' HB ' ' A' ' 28' ' ' VAL . . . -156.83 -158.89 9.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -136.15 146.99 47.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.865 HG23 HG23 ' A' ' 28' ' ' VAL . 23.5 t -85.26 135.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -127.38 -88.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.448 ' H ' HG23 ' A' ' 99' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -160.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -73.93 -34.0 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 1.4 mt-10 59.39 107.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.641 ' HB2' HG21 ' A' ' 28' ' ' VAL . 91.3 m-85 -109.35 127.4 54.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.8 p -78.99 163.37 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.73 -30.82 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.85 -47.04 61.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.772 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.7 mt-30 -72.57 -33.49 66.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.883 HD13 HG22 ' A' ' 28' ' ' VAL . 2.2 tp -77.3 -23.72 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 18.8 t -80.36 -3.89 51.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.0 pt20 -113.14 24.99 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.772 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.3 m-85 -142.08 51.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.8 p-10 -109.35 15.73 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 102.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.45 -46.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.78 21.62 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -53.29 133.3 52.1 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 155.3 43.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.9 mp -93.74 117.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.173 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.549 ' CE1' HG21 ' A' ' 95' ' ' VAL . 16.0 m-30 -129.35 128.57 43.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.817 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 14.5 t -106.91 177.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.719 ' H ' HG12 ' A' ' 22' ' ' VAL . . . -138.02 135.33 35.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.511 HD12 ' CD2' ' A' ' 88' ' ' PHE . 8.0 mt -147.26 109.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 4.2 mmmt 72.4 14.02 5.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.526 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 95.94 8.67 57.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 3.1 ttm180 -107.39 128.73 54.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 98' ' ' VAL . 10.0 t -84.44 121.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.663 ' CD1' HG22 ' A' ' 94' ' ' VAL . 47.1 m-85 -114.93 161.02 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.628 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -103.88 127.31 51.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.978 HG21 ' CD2' ' A' ' 38' ' ' TYR . 12.1 m -127.7 4.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -51.79 -23.76 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -54.79 -10.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.45 47.84 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' GLY . 25.7 pttt -49.5 -24.09 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -57.92 -18.7 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' ASP . 24.9 m-85 -109.09 -44.91 3.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.978 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.39 -38.35 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.933 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -76.73 165.59 53.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLY . 30.1 t 38.56 50.45 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 35.51 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -128.61 -143.1 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -38.38 -44.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.2 m-85 -115.26 53.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 p -69.39 -32.04 70.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.71 -28.94 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.8 m-30 -81.32 -36.22 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 119.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.505 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 59.26 37.34 91.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.641 ' HB3' HG21 ' A' ' 66' ' ' VAL . 12.2 mtpt -156.22 148.67 23.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 39.0 t0 -85.97 87.65 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.964 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -81.19 53.92 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 6.0 p -77.36 -47.7 19.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 67' ' ' SER . 6.9 mtp180 -66.34 -44.48 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.55 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.24 -42.7 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.032 HD23 ' HB3' ' A' ' 84' ' ' TRP . 6.8 mp -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.491 ' O ' HG21 ' A' ' 80' ' ' THR . . . -58.86 -75.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.57 -26.5 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 13.2 mtp 68.26 47.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -108.73 -15.28 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.55 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 52.69 19.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.577 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.1 m120 -67.38 140.0 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -68.53 -21.05 64.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.97 -21.55 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 5.7 m-20 -73.05 -46.4 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.665 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -52.13 119.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -136.63 135.23 20.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.687 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.26 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 73' ' ' LEU . 69.9 mt -26.64 -55.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.19 -156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.68 47.54 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -59.49 114.83 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.762 HG22 ' CG ' ' A' ' 77' ' ' GLU . 6.3 t -74.92 -174.49 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -67.68 -43.59 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 5.9 ptpt -51.21 -47.95 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.846 ' HB2' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -80.26 -43.09 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -52.33 -29.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -88.94 -44.27 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 57' ' ' GLY . 63.5 m -76.25 -48.55 19.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.799 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -57.68 -59.76 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 2.9 m-20 -50.52 -40.82 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -66.4 -38.53 87.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 1.032 ' HB3' HD23 ' A' ' 56' ' ' LEU . 7.9 m95 -59.33 -38.05 79.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 10.8 tt0 -63.1 -46.35 87.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.682 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.5 m -62.33 -25.02 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 1.8 mttm -85.98 -37.68 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.511 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -77.75 -46.63 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.616 ' OE1' ' N ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -69.57 -19.17 63.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -104.49 25.42 10.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -152.11 -46.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.843 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.8 m-85 -96.76 136.55 21.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.88 24.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.663 HG22 ' CD1' ' A' ' 29' ' ' PHE . 59.0 t -87.68 109.46 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 21' ' ' TYR . 19.2 m -88.05 -18.75 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -175.62 -177.01 44.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -127.16 126.45 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 28' ' ' VAL . 71.6 t -58.14 150.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 -49.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . 0.555 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 6.4 mtt -73.06 -33.21 65.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.3 mt-10 53.51 107.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.786 ' HB2' HG21 ' A' ' 28' ' ' VAL . 72.7 m-85 -108.45 130.69 55.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.7 p -74.83 154.0 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -30.74 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -69.45 -47.32 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.534 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.6 -40.88 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.107 HD13 HG22 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -61.72 -29.33 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -77.97 4.58 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 12.1 mt-30 -100.11 12.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 42.6 m-85 -137.04 41.13 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.602 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -84.47 5.66 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 83.45 101.3 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 110.424 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.713 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.2 mp -123.75 119.08 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.0 m-30 -124.05 132.39 53.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.96 HG11 ' OH ' ' A' ' 38' ' ' TYR . 5.1 t -112.5 149.88 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -107.72 134.73 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.71 HG22 ' HD3' ' A' ' 25' ' ' LYS . 8.3 mt -141.71 110.35 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.713 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.9 OUTLIER 64.99 15.25 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.64 17.22 29.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.854 HH11 HG11 ' A' ' 94' ' ' VAL . 2.5 ttm-85 -116.42 126.58 53.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.107 HG22 HD13 ' A' ' 8' ' ' LEU . 42.3 t -82.58 122.25 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CD1' HG22 ' A' ' 94' ' ' VAL . 30.5 m-85 -115.16 158.43 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.621 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -104.01 124.88 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.102 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.1 m -127.63 6.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.551 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.93 -24.49 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.0 p -56.4 -9.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.49 47.29 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -50.4 -22.83 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.69 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 73.1 m-85 -108.22 -44.12 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.102 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -91.97 -38.04 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.83 168.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -35.89 124.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.961 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.05 87.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.5 -176.87 25.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -41.84 -49.9 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.0 m-85 -104.57 59.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -74.72 -31.9 61.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -23.21 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.759 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 13.4 m-30 -84.91 -32.82 22.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.602 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -53.19 123.91 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 60.91 30.43 73.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 8.4 mttt -157.6 149.91 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.772 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 22.2 t0 -87.15 111.24 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.759 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -100.59 52.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.516 ' HA ' HD23 ' A' ' 81' ' ' LEU . 5.9 p -73.39 -53.43 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 2.4 mtp180 -68.2 -44.61 75.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.487 ' CA ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.76 -36.72 77.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 52' ' ' ALA . 16.5 mt -70.71 -43.07 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -54.23 -75.22 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -63.44 -21.83 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 2.1 mtp 68.89 50.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -28.89 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 47' ' ' PHE . 13.1 mttt 66.63 19.22 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.64 ' O ' HG23 ' A' ' 66' ' ' VAL . 4.8 m120 -64.52 146.93 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.26 -23.22 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 18.1 m-20 -75.22 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 62' ' ' ASN . 2.9 t -83.76 89.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 4.1 t -113.82 131.45 23.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.772 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 10.66 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.86 143.2 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -89.43 36.19 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.02 53.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.12 -26.14 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -41.47 110.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.867 HG23 ' OE2' ' A' ' 77' ' ' GLU . 28.5 p -76.93 -171.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.37 -41.36 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 8.7 ptpt -53.02 -52.01 59.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.867 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.8 pm0 -74.99 -41.09 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -55.79 -49.2 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.44 -50.01 60.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.896 HG22 ' CD1' ' A' ' 84' ' ' TRP . 72.7 m -79.39 -46.84 16.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.808 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -57.9 -56.4 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' ILE . 7.2 t-20 -51.67 -42.93 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -31.73 64.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.896 ' CD1' HG22 ' A' ' 80' ' ' THR . 7.3 m95 -60.13 -32.73 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -62.17 -46.36 89.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.62 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -64.54 -36.7 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.5 mttm -66.26 -46.84 75.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.7 m-85 -79.56 -36.85 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 85' ' ' GLU . 7.8 tp10 -69.83 -38.26 76.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.59 31.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 39.5 mttt -153.89 -60.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.851 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.9 m-85 -87.13 138.37 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.94 139.74 24.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.854 HG11 HH11 ' A' ' 27' ' ' ARG . 74.8 t -93.28 109.44 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.7 m -89.5 -11.0 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 171.23 177.51 41.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.165 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.84 130.31 52.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.577 HG23 HG23 ' A' ' 28' ' ' VAL . 39.1 t -50.79 133.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -83.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . 0.55 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' GLU . 54.9 mtp -71.07 -35.41 71.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' MET . 7.5 mt-10 55.36 110.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.809 ' HB2' HG21 ' A' ' 28' ' ' VAL . 26.7 m-85 -108.91 129.79 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -77.83 163.71 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.8 -35.85 61.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.57 -46.05 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.691 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.07 -31.12 64.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 HG22 ' A' ' 28' ' ' VAL . 3.3 tp -82.73 -24.23 33.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 81.6 p -87.45 22.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.603 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 5.6 pt20 -133.02 15.9 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.691 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 51.0 m-85 -138.93 60.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 13.5 p30 -113.63 17.76 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.12 47.57 23.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.397 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.649 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.677 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.9 mp -112.52 121.5 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.469 ' HB3' HG13 ' A' ' 28' ' ' VAL . 21.9 m-30 -128.53 129.17 45.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.868 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 12.4 t -109.68 155.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -111.67 143.58 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 56' ' ' LEU . 2.9 mt -149.24 111.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.998 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER 60.2 17.51 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.04 16.47 32.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -114.41 129.26 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 3' ' ' PHE . 55.6 t -86.49 122.12 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.609 ' CD1' HG22 ' A' ' 94' ' ' VAL . 41.1 m-85 -116.76 149.67 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.635 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -96.29 126.16 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.996 HG21 ' CD2' ' A' ' 38' ' ' TYR . 15.4 m -127.38 3.8 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.545 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -49.41 -25.77 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -8.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.01 47.7 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.1 pttt -49.5 -23.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 t -60.36 -17.83 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' O ' ' N ' ' A' ' 43' ' ' ASP . 32.0 m-85 -107.41 -43.76 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.996 ' CD2' HG21 ' A' ' 31' ' ' VAL . 1.5 m-85 -92.9 -38.08 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.92 177.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLY . 8.1 t -39.31 140.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.5 71.12 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -132.31 175.12 20.03 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 37' ' ' PHE . 4.4 m-20 -43.38 -50.28 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m-85 -102.47 61.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t -74.55 -33.05 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.1 -30.32 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.5 m-30 -77.78 -32.78 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.41 123.27 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 61.02 33.34 83.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.773 ' HB3' HG11 ' A' ' 66' ' ' VAL . 33.0 mtmt -161.57 152.01 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.815 ' O ' HG13 ' A' ' 66' ' ' VAL . 43.7 t0 -88.98 107.47 19.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.68 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -100.94 59.98 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -74.95 -54.05 7.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 5.4 mtm180 -61.37 -49.68 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.84 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 52' ' ' ALA . 17.1 mt -73.14 -42.74 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -59.88 -75.19 0.29 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -61.0 -20.81 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.8 OUTLIER 67.31 54.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -112.64 -44.09 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.84 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 10.7 mttp 86.83 18.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.465 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.7 m120 -57.5 147.51 26.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.96 -24.43 55.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -89.94 -21.46 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.551 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 2.5 m-20 -65.27 -43.67 90.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 51' ' ' ASP . 58.5 t -35.64 109.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -121.39 109.62 34.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.714 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 7.79 2.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.65 156.31 40.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 25' ' ' LYS . 20.0 mt -79.94 49.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.06 70.62 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.95 -11.87 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 4.0 mm? -67.46 100.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.686 HG23 ' OE2' ' A' ' 77' ' ' GLU . 28.9 p -78.52 -175.46 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.491 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.7 OUTLIER -67.6 -42.02 83.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 2.7 ptpt -53.04 -52.61 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.759 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -75.13 -41.24 58.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -52.8 -47.88 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -48.08 -53.83 15.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.644 HG22 ' CD1' ' A' ' 84' ' ' TRP . 16.8 m -80.35 -46.7 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.998 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -56.47 -57.94 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.5 t-20 -51.53 -43.55 62.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.57 -30.36 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.644 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.74 -47.33 86.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.92 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -74.0 -43.97 56.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.9 OUTLIER -71.09 -43.25 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' CB ' ' HE1' ' A' ' 29' ' ' PHE . 1.4 pp20? -71.79 -20.18 61.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.84 -15.4 34.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.06 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.884 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.6 m-85 -69.69 138.78 88.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 135.22 18.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 29' ' ' PHE . 39.0 t -91.36 109.12 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.68 -14.32 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -177.77 42.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.577 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.75 134.32 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' GLY . 18.7 t -49.39 143.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -90.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.6 mtm -67.08 -31.96 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.6 mt-10 54.33 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.716 ' HB2' HG21 ' A' ' 28' ' ' VAL . 96.2 m-85 -108.84 129.15 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.4 p -77.98 157.48 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.18 -29.4 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -71.84 -47.09 55.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.612 ' NE2' HE22 ' A' ' 10' ' ' GLN . 1.1 mm-40 -73.42 -37.95 65.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.814 HD13 HG22 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -65.31 -28.67 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -77.77 2.4 17.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.612 HE22 ' NE2' ' A' ' 7' ' ' GLN . 6.5 mt-30 -99.93 2.51 43.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 49.4 m-85 -129.96 58.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.509 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -113.43 11.29 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.67 45.76 6.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.1 mp -122.11 121.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.3 m-30 -126.28 131.97 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.87 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 7.7 t -110.01 151.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -112.49 136.4 52.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.585 HG23 HD21 ' A' ' 81' ' ' LEU . 54.7 mt -144.81 111.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.9 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.4 OUTLIER 64.23 15.21 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.09 33.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.661 HH11 HG11 ' A' ' 94' ' ' VAL . 4.2 ttm-85 -112.64 129.16 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.814 HG22 HD13 ' A' ' 8' ' ' LEU . 24.5 t -87.23 123.18 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 94' ' ' VAL . 40.2 m-85 -119.08 150.34 40.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.63 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.53 127.24 43.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.061 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -130.86 7.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.577 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.08 -24.33 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 33' ' ' THR . 29.4 p -55.66 -8.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -155.29 48.65 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 10.1 pttt -49.88 -24.21 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -57.3 -17.96 14.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.4 m-85 -108.64 -42.87 4.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.061 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -95.78 -38.36 10.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -54.78 -116.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -57.59 -154.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 66.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -89.9 -137.62 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -101.87 -27.41 13.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.847 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.4 m-85 -110.38 44.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.9 74.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.59 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.96 -27.94 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 6.2 m-30 -80.53 -33.25 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 12' ' ' ASN . . . -50.54 133.21 25.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.76 37.05 20.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.675 ' HB3' HG11 ' A' ' 66' ' ' VAL . 17.2 mttp -160.21 153.41 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.817 ' O ' HG13 ' A' ' 66' ' ' VAL . 28.3 t0 -90.27 95.86 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.675 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -89.32 62.9 6.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.484 ' C ' HD11 ' A' ' 73' ' ' LEU . 2.6 p -74.46 -56.29 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.584 ' HG2' HD22 ' A' ' 73' ' ' LEU . 49.6 mtp180 -62.06 -47.27 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -58.43 -36.46 73.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.604 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 19.1 mt -72.01 -44.55 63.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.52 -78.5 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -18.75 21.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.423 ' HG2' HG21 ' A' ' 80' ' ' THR . 9.6 mtp 73.91 38.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -107.13 -172.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.31 25.03 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.507 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 2.8 m120 -62.56 139.21 58.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.77 -21.93 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.81 -20.86 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 2.0 m-20 -62.17 -47.41 84.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 51' ' ' ASP . 71.6 t -45.67 113.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.446 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -127.8 112.15 20.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.668 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.02 7.84 2.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -141.39 119.05 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 ' CB ' ' A' ' 25' ' ' LYS . 58.0 mt -36.98 -48.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.3 mt-10 -35.7 94.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 133.94 -33.74 2.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.619 HD13 ' OE1' ' A' ' 77' ' ' GLU . 2.3 mm? -63.0 113.25 2.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.486 HG23 ' OE2' ' A' ' 77' ' ' GLU . 43.8 p -82.94 -176.62 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.494 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -68.38 -40.62 81.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.9 ptpt -53.83 -49.08 69.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.1 pt-20 -78.67 -41.6 30.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -53.54 -46.92 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 2.2 m-20 -50.52 -50.78 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.609 HG22 ' CD1' ' A' ' 84' ' ' TRP . 19.5 m -81.24 -47.29 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.9 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -57.76 -59.62 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.6 t-20 -49.2 -40.33 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.68 -31.4 61.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.5 m95 -59.18 -41.05 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.981 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -60.28 -46.09 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -65.05 -34.87 79.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -74.12 -42.17 60.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.551 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.4 m-85 -73.3 -42.53 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -71.96 -20.09 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.23 -10.93 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 -68.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.818 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.2 m-85 -67.43 138.5 94.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.98 136.93 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.661 HG11 HH11 ' A' ' 27' ' ' ARG . 21.5 t -91.55 107.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 3' ' ' PHE . 29.5 m -83.43 -11.13 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 162.49 -172.91 38.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 1.5 ppt_? -120.59 141.32 50.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.619 HG21 ' CB ' ' A' ' 23' ' ' ALA . 10.0 t -58.23 127.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -111.25 -88.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLU . 38.7 mtm -64.58 -35.34 80.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 1.3 mt-10 57.14 114.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.746 ' HB2' HG21 ' A' ' 28' ' ' VAL . 72.8 m-85 -108.95 129.2 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -77.34 158.67 30.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.78 -33.57 49.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.58 -44.97 63.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.03 -42.91 65.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.572 HD13 HG22 ' A' ' 28' ' ' VAL . 2.6 tp -58.46 -37.7 76.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -65.75 -10.84 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 7' ' ' GLN . 9.3 mm100 -74.94 -19.9 59.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.537 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 9.5 m-85 -121.43 67.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.67 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.27 13.27 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.48 100.14 0.55 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.892 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.5 mp -125.96 124.11 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.544 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.7 m-30 -124.63 130.49 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.7 t -108.98 153.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -112.73 136.84 51.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.48 ' CD1' HD13 ' A' ' 56' ' ' LEU . 23.9 mt -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.836 ' HD3' HD11 ' A' ' 81' ' ' LEU . 11.1 mmmm 66.78 14.87 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.43 14.71 43.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -112.73 131.39 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.746 HG21 ' HB2' ' A' ' 3' ' ' PHE . 12.5 t -87.15 122.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CD1' HG22 ' A' ' 94' ' ' VAL . 40.5 m-85 -118.26 144.98 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.654 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -90.25 126.56 35.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.887 HG12 ' CD2' ' A' ' 92' ' ' TYR . 23.2 m -128.37 4.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.55 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.24 -22.93 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.8 p -54.8 -8.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -151.2 50.06 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLY . 14.6 pttt -49.21 -24.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.2 m-85 -107.91 -42.39 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.892 ' HB3' HG21 ' A' ' 20' ' ' ILE . 5.0 m-85 -92.88 -37.95 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.68 169.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.1 t -33.94 123.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.93 87.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -148.92 -176.02 21.89 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.38 -51.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.689 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 1.3 m-85 -110.71 63.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -28.04 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.74 -31.04 24.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.703 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.9 m-30 -75.3 -33.19 61.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -49.37 130.22 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.12 38.15 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.6 OUTLIER -163.09 153.06 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.8 ' O ' HG13 ' A' ' 66' ' ' VAL . 61.4 t0 -86.52 116.98 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.703 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -114.7 46.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -72.27 -41.17 67.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.565 ' HA ' HD21 ' A' ' 73' ' ' LEU . 5.2 mtm180 -66.78 -53.71 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 65' ' ' ASP . . . -60.83 -34.61 74.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 52' ' ' ALA . 9.6 mt -61.88 -43.56 98.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.6 -68.93 1.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -60.54 -25.15 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER 65.69 50.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -113.49 -23.57 9.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 63.55 12.88 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.5 m120 -50.33 148.58 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -24.74 59.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.36 -20.93 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -67.99 -43.72 78.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 51' ' ' ASP . 54.7 t -52.45 121.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.486 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 1.5 t -152.97 134.25 8.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.676 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.04 6.99 3.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.609 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -154.93 87.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.953 HD12 ' N ' ' A' ' 71' ' ' GLU . 3.6 pp -22.48 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.953 ' N ' HD12 ' A' ' 70' ' ' LEU . 9.3 mm-40 26.96 41.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 158.08 39.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.725 HD13 ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -93.07 107.62 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.846 HG23 ' OE2' ' A' ' 77' ' ' GLU . 24.8 p -74.15 -173.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.543 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -68.9 -43.16 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -52.97 -51.77 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.846 ' OE2' HG23 ' A' ' 74' ' ' THR . 2.3 pm0 -75.69 -38.63 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.549 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -52.62 -30.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -82.45 -51.88 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.687 HG22 ' CD1' ' A' ' 84' ' ' TRP . 32.1 m -69.97 -47.31 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.836 HD11 ' HD3' ' A' ' 25' ' ' LYS . 1.5 tm? -57.12 -54.54 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.4 m-80 -50.45 -59.46 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -58.23 -33.27 69.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.687 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -59.39 -48.67 80.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -62.19 -47.5 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.0 mttm -73.39 -43.68 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.2 m-85 -70.43 -43.52 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.25 -18.77 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.59 -16.02 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -68.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.1 m-85 -69.6 138.65 88.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.07 138.84 23.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.594 HG22 ' CD1' ' A' ' 29' ' ' PHE . 34.7 t -91.36 109.57 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 28' ' ' VAL . 22.1 m -88.73 -5.8 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.86 -175.02 40.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 2.4 ppt_? -126.07 135.86 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.636 HG23 HG23 ' A' ' 28' ' ' VAL . 54.4 t -58.28 124.84 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -107.93 -53.22 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -65.26 -34.01 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.3 mt-10 58.04 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.707 ' HB2' HG21 ' A' ' 28' ' ' VAL . 67.6 m-85 -109.45 130.23 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.2 p -74.87 155.65 37.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 110.368 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.82 53.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -46.97 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -35.34 66.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.794 HD13 HG22 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -67.44 -32.42 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -72.42 -0.56 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.448 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.1 mt-30 -95.26 14.83 20.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 28.8 m-85 -137.18 38.59 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.697 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -88.97 15.81 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.26 108.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.393 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.1 mp -123.1 116.2 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.578 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.1 m-30 -126.94 133.58 50.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.904 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 8.4 t -112.88 149.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -108.46 134.25 51.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.614 HG22 ' HD3' ' A' ' 25' ' ' LYS . 12.7 mt -141.17 110.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.637 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.8 OUTLIER 65.23 16.16 10.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.95 14.56 39.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.76 HH11 HG11 ' A' ' 94' ' ' VAL . 2.4 ttm-85 -113.55 128.41 56.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.794 HG22 HD13 ' A' ' 8' ' ' LEU . 40.7 t -84.92 122.65 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 94' ' ' VAL . 40.9 m-85 -118.19 153.16 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.62 127.57 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.104 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.8 m -128.46 7.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.587 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.15 -25.9 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -8.96 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.58 48.07 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.13 -23.46 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.88 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.0 m-85 -107.94 -44.36 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.104 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -92.37 -38.15 12.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.94 172.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -36.02 127.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 41.42 88.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.23 -178.5 26.98 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -41.24 -51.48 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.835 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -103.11 59.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -33.31 62.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.12 -23.31 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.1 m-30 -84.8 -33.4 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 12' ' ' ASN . . . -51.16 126.59 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 57.18 34.23 66.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.767 ' HB3' HG11 ' A' ' 66' ' ' VAL . 8.1 mttm -162.17 151.06 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.85 ' O ' HG13 ' A' ' 66' ' ' VAL . 25.1 t0 -86.47 111.64 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.693 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -104.66 52.3 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.534 ' HA ' HD23 ' A' ' 81' ' ' LEU . 52.2 m -75.44 -46.99 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.631 ' HG2' HD11 ' A' ' 73' ' ' LEU . 6.8 mtm180 -67.48 -49.32 64.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.71 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.42 -34.43 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 52' ' ' ALA . 19.5 mt -70.99 -41.06 71.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.02 -77.74 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.513 ' CE ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.8 53.26 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -112.31 -18.46 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.71 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 9.1 ptpt 51.27 23.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 64' ' ' GLU . 2.6 t-20 -73.25 131.8 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -16.46 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -89.6 -22.13 22.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.1 m-20 -76.65 -37.03 56.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 51' ' ' ASP . 45.4 t -39.97 124.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.542 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 9.4 p -146.23 121.07 5.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.709 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 8.91 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.08 140.99 20.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -87.37 41.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.11 49.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.82 -24.87 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.631 HD11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -41.96 117.08 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.462 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 19.4 p -79.12 -176.76 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.45 -40.34 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.98 -48.0 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.811 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt-20 -80.08 -42.32 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -52.45 -48.48 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -54.58 -47.02 73.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.607 HG22 ' CD1' ' A' ' 84' ' ' TRP . 50.1 m -79.99 -48.28 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.811 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -58.76 -58.16 9.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.667 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.0 t-20 -51.84 -39.83 59.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -35.07 63.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -59.22 -32.59 70.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.986 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 5.7 tt0 -62.77 -50.67 70.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 m -60.6 -33.41 72.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 21.2 mttt -73.81 -40.89 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.05 -42.79 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.611 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -68.5 -34.24 75.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -89.32 29.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 15.7 mttt -154.03 -57.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.849 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.4 m-85 -85.83 138.58 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.97 136.81 20.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.76 HG11 HH11 ' A' ' 27' ' ' ARG . 20.4 t -89.03 110.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -90.64 -9.16 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 167.79 -177.63 42.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.563 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.89 133.62 53.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.619 HG21 ' CB ' ' A' ' 23' ' ' ALA . 37.3 t -55.58 122.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -104.94 -52.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt -66.57 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.2 mt-10 58.99 116.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.026 ' HB2' HG21 ' A' ' 28' ' ' VAL . 57.5 m-85 -111.53 130.21 55.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.9 p -77.16 154.99 32.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.66 47.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -71.59 -46.78 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -72.96 -38.5 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -29.25 70.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -77.48 3.48 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.7 mt-30 -100.01 10.89 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 33.7 m-85 -139.08 46.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.575 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 1.3 p-10 -92.05 10.85 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.45 100.86 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.4 mp -123.55 117.56 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.652 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 22.6 m-30 -126.51 139.34 53.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.875 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 57.6 t -117.99 170.85 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.583 ' N ' HG12 ' A' ' 22' ' ' VAL . . . -128.11 138.18 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.699 HD12 ' CD2' ' A' ' 88' ' ' PHE . 11.2 mt -151.71 114.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.704 ' HD3' HD11 ' A' ' 81' ' ' LEU . 0.4 OUTLIER 69.32 9.98 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.25 14.17 42.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -113.88 124.56 52.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.026 HG21 ' HB2' ' A' ' 3' ' ' PHE . 77.0 t -75.52 120.43 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.799 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 50.5 m-85 -117.96 145.65 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.652 ' OD1' ' CD1' ' A' ' 21' ' ' TYR . 4.1 m-20 -93.87 137.43 33.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.037 HG21 ' CD2' ' A' ' 38' ' ' TYR . 19.1 m -134.38 8.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.74 -26.9 10.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.3 p -56.57 -9.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' THR . . . -151.73 45.43 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -50.37 -23.15 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -18.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 12.6 m-85 -107.66 -45.92 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.037 ' CD2' HG21 ' A' ' 31' ' ' VAL . 1.1 m-85 -89.68 -38.42 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.7 172.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLY . 7.0 t -37.72 133.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.79 81.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.92 179.05 24.16 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -40.13 -51.55 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.768 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.2 m-85 -105.45 60.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -33.22 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.67 -30.82 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 5.3 m-30 -75.55 -33.83 60.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -50.07 126.31 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 62.1 32.7 83.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.676 ' HB3' HG21 ' A' ' 66' ' ' VAL . 9.5 mtmm -158.84 153.42 24.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.691 ' C ' HG23 ' A' ' 66' ' ' VAL . 49.2 t0 -88.16 83.75 6.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -78.39 54.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -74.64 -49.02 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.2 mtm180 -64.69 -45.15 87.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -59.71 -31.92 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' A' ' 24' ' ' ILE . 12.0 mt -71.27 -46.25 61.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG21 ' A' ' 80' ' ' THR . . . -55.24 -77.97 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.1 -17.04 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 mtp 71.99 38.18 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.81 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -108.6 144.57 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 46' ' ' MET . 12.8 mtmt -91.12 19.77 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.49 132.26 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -75.48 -19.25 59.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -21.72 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.1 m-20 -66.99 -48.05 69.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.691 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -49.7 124.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.463 ' OG ' ' CD ' ' A' ' 54' ' ' ARG . 52.6 p -144.76 132.13 10.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.95 7.18 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.572 1.827 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -148.85 108.72 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.722 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.676 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.2 mm-40 -6.81 81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 134.17 -37.16 2.0 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -42.62 112.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' OE2' ' A' ' 77' ' ' GLU . 7.8 p -74.09 -170.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.46 -43.39 69.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.0 -51.29 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pm0 -75.16 -42.22 56.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.504 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -51.35 -28.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -84.71 -45.83 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 57' ' ' GLY . 21.5 m -75.03 -46.96 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.19 -53.63 55.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.571 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.6 m-80 -47.76 -59.7 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -35.83 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.7 OUTLIER -59.07 -47.1 86.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 108.005 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.69 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -58.43 -48.27 81.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.2 m -63.61 -32.91 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 4.9 mtpt -76.67 -44.33 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.699 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -71.03 -43.12 68.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.799 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.89 -18.8 62.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -101.07 -13.83 18.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 2.7 mmtt -105.39 -57.17 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.762 ' CG ' HG12 ' A' ' 31' ' ' VAL . 13.4 m-85 -87.81 142.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 132.07 15.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.774 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -94.91 107.6 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.576 HG23 ' CE1' ' A' ' 3' ' ' PHE . 19.2 m -81.79 2.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.449 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 156.39 177.69 29.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 2.0 ppt_? -113.9 140.04 48.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 3.0 t -49.71 165.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.536 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.2 -76.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.9 mtp -67.12 -34.47 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.569 ' OE1' HG11 ' A' ' 99' ' ' VAL . 46.6 mt-10 54.93 117.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.725 ' HB2' HG21 ' A' ' 28' ' ' VAL . 96.1 m-85 -113.12 129.88 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 p -81.38 158.98 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.42 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.3 mt-10 -72.91 -47.93 41.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -73.78 -42.66 60.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.515 HD13 HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -58.06 -31.48 67.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -73.03 -7.01 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 1.2 mt-30 -102.76 14.01 33.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.597 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 59.3 m-85 -136.76 60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.1 p30 -112.4 8.55 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 70.08 98.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.868 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.6 mp -102.65 124.47 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HB3' HG13 ' A' ' 28' ' ' VAL . 21.5 m-85 -128.73 130.1 46.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.792 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 17.7 t -105.98 153.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -117.87 136.16 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 88' ' ' PHE . 2.1 mt -151.97 111.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 1.006 ' HD3' HD11 ' A' ' 81' ' ' LEU . 2.8 mmmp? 72.99 10.64 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.64 15.81 38.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.767 HH11 HG11 ' A' ' 94' ' ' VAL . 1.5 ttm-85 -113.49 131.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 24.5 t -87.96 123.84 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 46.8 m-85 -118.06 149.36 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.83 124.81 39.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.895 HG12 ' CE2' ' A' ' 92' ' ' TYR . 25.5 m -127.64 4.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.531 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.32 -22.78 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 33' ' ' THR . 29.8 p -54.71 -9.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -148.73 49.41 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.2 pttt -49.59 -24.44 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -18.42 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.1 m-85 -107.78 -38.97 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.868 ' HB3' HG21 ' A' ' 20' ' ' ILE . 4.1 m-85 -95.04 -38.87 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.56 171.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 t -34.24 120.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.82 94.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -155.82 -175.3 26.67 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.675 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -111.81 65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -31.96 68.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -81.98 -32.54 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.751 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 4.3 m-30 -72.12 -34.22 68.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.93 123.25 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 50.68 40.58 41.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.806 ' HB3' HG11 ' A' ' 66' ' ' VAL . 4.0 mtmt -161.52 155.21 21.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.882 ' O ' HG13 ' A' ' 66' ' ' VAL . 38.0 t0 -88.26 111.36 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.751 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -99.74 63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 m -75.17 -55.15 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.6 ' HG2' HD21 ' A' ' 73' ' ' LEU . 4.1 mmm180 -61.61 -46.08 91.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.492 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . . . -57.97 -46.73 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.722 HD23 ' HB3' ' A' ' 84' ' ' TRP . 3.7 mp -59.27 -50.95 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.628 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.17 -83.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -22.37 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.5 ' CG ' HG21 ' A' ' 80' ' ' THR . 11.3 mtp 74.78 36.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.04 -172.15 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.44 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -130.99 39.49 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -75.35 139.89 42.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -77.05 -22.49 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.45 -20.74 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.585 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 m-20 -59.2 -48.97 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 51' ' ' ASP . 52.7 t -34.31 105.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.425 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -119.23 107.08 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.665 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 144.34 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.554 HD11 ' NZ ' ' A' ' 25' ' ' LYS . 59.3 mt -73.93 55.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 15.0 pt-20 -108.97 54.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.61 -20.37 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.74 HD13 ' OE1' ' A' ' 77' ' ' GLU . 2.4 mm? -54.15 107.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' OE2' ' A' ' 77' ' ' GLU . 20.9 p -77.58 -179.35 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -65.94 -41.94 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -52.91 -49.92 64.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.755 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pt-20 -79.58 -40.8 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 74' ' ' THR . 1.0 OUTLIER -52.26 -29.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.63 -47.44 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.5 HG21 ' CG ' ' A' ' 59' ' ' MET . 27.5 m -76.76 -47.76 20.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.006 HD11 ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -55.3 -56.5 19.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.698 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.1 m120 -50.77 -37.26 41.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -35.57 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.722 ' HB3' HD23 ' A' ' 56' ' ' LEU . 16.8 m95 -59.88 -43.34 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -63.3 -45.05 93.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.62 -34.14 77.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.9 mttm -73.39 -42.9 61.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 24' ' ' ILE . 2.1 m-85 -68.91 -43.56 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.49 -19.36 61.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.27 -10.84 31.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -120.64 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.895 ' CE2' HG12 ' A' ' 31' ' ' VAL . 13.2 m-85 -64.13 142.15 98.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.01 138.52 23.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.767 HG11 HH11 ' A' ' 27' ' ' ARG . 23.5 t -93.26 109.83 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.717 HG23 ' CE1' ' A' ' 3' ' ' PHE . 29.7 m -88.66 -8.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.27 -175.18 41.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -123.98 141.13 52.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.564 HG21 ' HB1' ' A' ' 23' ' ' ALA . 31.5 t -59.33 120.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG11 ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -103.75 -58.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mtt -69.92 -34.47 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 8.3 mt-10 56.39 112.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.917 ' HB2' HG21 ' A' ' 28' ' ' VAL . 68.7 m-85 -108.26 128.54 54.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 p -80.39 159.63 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.11 -29.3 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.4 -46.97 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.735 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -73.65 -33.15 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 10.5 tp -77.91 -24.35 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 5.6 m -80.08 -0.89 37.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.562 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.3 pt20 -116.37 20.48 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 23.5 m-85 -136.81 52.09 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.9 p30 -109.92 12.18 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.29 104.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 35' ' ' LYS . 1.3 mp -104.76 114.41 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 21.1 m-30 -130.69 134.92 47.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.867 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 13.6 t -113.75 167.75 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' ' CD2' ' A' ' 8' ' ' LEU . . . -124.8 141.47 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 88' ' ' PHE . 43.3 mt -152.48 113.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' CE ' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 68.13 14.3 9.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.34 12.0 55.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.63 HH11 HG11 ' A' ' 94' ' ' VAL . 2.5 ttm-85 -112.02 132.32 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.917 HG21 ' HB2' ' A' ' 3' ' ' PHE . 10.9 t -84.77 120.84 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.727 ' CD1' HG22 ' A' ' 94' ' ' VAL . 60.5 m-85 -117.49 141.82 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 4.2 m-20 -89.46 134.18 34.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.042 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -132.23 9.16 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.69 -26.31 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -9.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.94 46.18 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 13.2 pttt -50.11 -24.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -18.14 31.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 69.5 m-85 -107.21 -44.1 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.042 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -91.94 -39.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.46 173.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -38.53 128.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.046 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' ' OG ' ' A' ' 45' ' ' SER . . . 43.73 87.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -154.77 -179.25 29.85 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -40.12 -52.07 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.825 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.1 m-85 -105.95 61.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.402 ' OG ' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -74.1 -31.34 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -82.69 -31.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 5.7 m-30 -77.13 -34.77 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -43.46 126.35 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.36 36.47 46.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.598 ' HB3' HG11 ' A' ' 66' ' ' VAL . 5.8 mtpt -158.7 149.35 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.633 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 13.8 t0 -88.01 116.74 26.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -106.55 64.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.505 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 69.3 m -74.9 -54.95 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.79 -41.68 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.858 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -58.82 -43.14 90.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.925 HD23 ' HB3' ' A' ' 84' ' ' TRP . 5.2 mp -63.53 -47.7 80.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.684 ' O ' HG21 ' A' ' 80' ' ' THR . . . -51.76 -77.83 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HZ1' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -61.47 -19.27 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.1 mtt 75.77 39.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.858 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -114.97 165.64 12.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CE ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -107.94 13.62 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.425 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 4.9 t-20 -50.67 137.24 20.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -68.64 -17.26 64.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -89.4 -21.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.7 m-20 -72.16 -26.46 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 50' ' ' LYS . 69.8 t -66.01 80.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 27.6 p -113.57 117.43 44.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.633 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.03 9.0 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 142.29 21.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.01 HD23 HD13 ' A' ' 73' ' ' LEU . 6.8 mt -70.63 53.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.6 51.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.31 0.82 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.01 HD13 HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -50.22 109.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.692 HG23 ' OE2' ' A' ' 77' ' ' GLU . 16.4 p -72.97 -169.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.64 -44.34 67.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.59 -50.45 60.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.794 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pm0 -74.79 -44.36 49.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.28 -29.84 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -84.92 -46.93 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.684 HG21 ' O ' ' A' ' 57' ' ' GLY . 20.7 m -74.67 -47.6 30.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.794 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.11 -56.54 20.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.4 m-20 -51.18 -34.58 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -34.57 59.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.925 ' HB3' HD23 ' A' ' 56' ' ' LEU . 11.8 m95 -60.38 -31.08 70.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -66.21 -49.61 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.831 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.3 m -60.68 -31.73 70.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.3 mtpt -75.14 -40.62 59.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -81.24 -44.61 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.646 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 5.6 tp10 -66.8 -33.77 76.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -96.14 34.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 90' ' ' ALA . 35.8 mttm -157.65 -56.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.736 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.0 m-85 -86.98 142.25 33.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 135.04 18.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 ' CD1' ' A' ' 29' ' ' PHE . 66.5 t -90.52 109.36 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.75 HG23 ' CE1' ' A' ' 3' ' ' PHE . 14.8 m -88.07 -13.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 173.06 -176.96 45.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.492 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -124.4 136.98 54.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.587 HG23 HG23 ' A' ' 28' ' ' VAL . 53.4 t -58.21 131.13 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.31 -50.19 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 96' ' ' GLY . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.5 mmm -63.63 -35.73 81.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 3.3 mt-10 54.87 110.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 95' ' ' VAL . 48.0 m-85 -109.26 129.96 55.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.823 HG22 HG23 ' A' ' 99' ' ' VAL . 36.6 p -84.18 162.76 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -54.07 -28.24 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 14.7 mp0 -71.28 -47.88 54.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.741 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -42.28 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.415 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 5.3 tp -66.46 -24.44 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 4.1 m -79.0 -6.46 56.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 10.2 pt20 -117.82 28.86 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 25.3 m-85 -145.37 55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.539 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 10.9 p30 -113.21 16.63 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.64 98.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.515 HD13 ' CB ' ' A' ' 35' ' ' LYS . 1.4 mp -97.96 117.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.14 129.7 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 20.2 t -106.53 174.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.641 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -133.89 143.64 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HD3' ' A' ' 25' ' ' LYS . 3.3 mt -148.1 112.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.834 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.1 mtpp 59.94 17.58 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.42 16.16 35.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -112.01 126.63 55.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 95.9 t -83.57 121.54 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.647 ' CE1' HG22 ' A' ' 94' ' ' VAL . 41.2 m-85 -117.49 153.11 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.25 127.33 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.006 HG21 ' CD2' ' A' ' 38' ' ' TYR . 8.0 m -129.95 5.21 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.54 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.55 -25.2 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -56.5 -8.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.83 46.51 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -50.3 -24.01 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -18.67 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 43' ' ' ASP . 12.5 m-85 -108.21 -44.17 4.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.006 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.49 -39.88 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.83 176.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.5 p -37.51 133.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 36.2 87.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -153.17 178.0 30.48 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.82 -53.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.787 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.2 m-85 -103.28 59.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.55 -31.91 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.21 -26.74 33.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.711 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.8 m-30 -82.38 -35.02 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -46.55 127.28 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 55.77 32.85 59.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.686 ' HB3' HG21 ' A' ' 66' ' ' VAL . 6.5 mtpt -156.8 152.47 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.68 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 55.8 t0 -88.22 92.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.777 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -85.0 51.1 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -75.35 -47.97 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.958 ' HG2' HD21 ' A' ' 73' ' ' LEU . 8.3 mtm180 -67.04 -48.84 67.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.61 -31.58 69.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 52' ' ' ALA . 10.2 mt -73.7 -42.18 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -60.27 -77.67 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -58.51 -22.16 54.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtt 67.97 53.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -109.2 -15.68 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 60' ' ' SER . 1.3 pttt 52.89 20.73 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.537 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.0 m120 -70.66 139.77 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.25 -20.48 63.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.57 -20.62 22.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 16.6 m-20 -73.14 -46.86 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.01 116.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.459 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -132.99 129.73 21.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.68 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.03 6.08 3.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 126.48 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -86.85 50.6 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 16.6 pt-20 -88.71 51.27 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 165.67 -25.55 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.958 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -35.19 117.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.625 HG22 ' HG2' ' A' ' 77' ' ' GLU . 4.9 t -89.43 -179.98 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.558 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.23 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 1.3 ptpt -51.15 -51.53 52.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.802 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 pt-20 -80.02 -41.78 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -52.67 -47.27 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -49.88 -53.56 25.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.847 HG22 ' CD1' ' A' ' 84' ' ' TRP . 26.0 m -79.51 -46.68 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.834 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -56.7 -59.07 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.0 t-20 -51.83 -51.79 54.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.89 -32.8 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.847 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -58.72 -38.23 77.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.77 -45.11 95.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -65.97 -34.65 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -73.37 -42.67 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.5 OUTLIER -72.9 -42.95 63.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.02 -19.55 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.27 -16.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -65.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.2 m-85 -73.02 137.95 79.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.0 134.61 18.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.647 HG22 ' CE1' ' A' ' 29' ' ' PHE . 21.5 t -85.7 108.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.88 HG23 ' CE1' ' A' ' 3' ' ' PHE . 32.5 m -85.54 -5.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 0' ' ' PRO . . . 151.93 -173.76 31.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -112.72 144.85 41.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' A' ' 23' ' ' ALA . 3.2 t -61.47 112.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.823 HG23 HG22 ' A' ' 4' ' ' THR . 11.1 m -107.91 103.89 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 2' ' ' GLU . 59.1 mmm -73.82 -34.57 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.5 mp0 53.9 109.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.86 ' HB2' HG21 ' A' ' 28' ' ' VAL . 94.4 m-85 -107.86 128.53 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.4 p -78.99 161.83 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.81 -33.63 56.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.11 -47.36 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.765 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -73.58 -33.83 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 28' ' ' VAL . 1.2 tp -77.42 -24.89 50.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 11.1 t -79.41 -1.11 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.2 pt20 -116.84 29.15 8.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.765 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.5 m-85 -145.79 58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.591 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 2.0 p30 -109.32 2.89 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 78.9 95.71 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.415 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.728 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.1 mp -100.9 122.39 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' HB3' HG13 ' A' ' 28' ' ' VAL . 19.1 m-30 -128.79 135.64 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.88 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 t -113.72 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -114.53 134.37 55.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.655 HG22 ' HD3' ' A' ' 25' ' ' LYS . 7.1 mt -146.16 110.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HD3' HG22 ' A' ' 24' ' ' ILE . 4.5 mtpp 70.41 12.93 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.03 17.11 33.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -115.06 129.98 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 8' ' ' LEU . 25.0 t -84.93 122.57 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 94' ' ' VAL . 44.0 m-85 -116.33 151.67 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.647 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.51 124.13 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.085 HG21 ' CD2' ' A' ' 38' ' ' TYR . 10.3 m -126.03 7.34 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.576 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -52.81 -25.63 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -54.49 -9.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.4 46.13 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -49.73 -23.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -17.91 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.3 m-85 -108.65 -42.62 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.085 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -93.09 -38.62 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.53 174.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' GLY . 28.9 t -37.87 129.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.15 83.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.64 -179.93 23.13 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -45.18 -50.45 11.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.8 m-85 -100.08 57.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -72.38 -32.1 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.99 -31.25 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 10.3 m-30 -77.14 -33.6 56.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -53.0 122.78 10.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.63 33.75 88.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB3' HG21 ' A' ' 66' ' ' VAL . 17.8 mttt -163.82 150.17 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 41.8 t0 -86.78 104.6 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.756 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -91.96 56.06 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.539 ' HB3' HD13 ' A' ' 81' ' ' LEU . 4.3 m -75.39 -56.87 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.65 ' HG2' HD21 ' A' ' 73' ' ' LEU . 1.8 mtm-85 -64.78 -42.29 95.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.703 HD22 ' CD2' ' A' ' 84' ' ' TRP . 15.0 mt -73.68 -47.78 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG21 ' A' ' 80' ' ' THR . . . -57.5 -69.95 1.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -62.92 -21.33 65.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 3.0 mtt 67.16 48.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.45 -28.47 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 20.8 mttt 61.83 28.33 17.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.515 ' O ' HG13 ' A' ' 66' ' ' VAL . 2.6 t-20 -87.28 133.31 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -17.39 62.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.0 -23.77 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 14.6 m-20 -76.23 -39.22 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -45.99 118.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.543 ' CB ' ' NH1' ' A' ' 54' ' ' ARG . 76.7 p -128.34 124.61 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.687 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 5.95 3.71 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 143.59 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.32 49.64 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.1 pt-20 -91.91 48.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 163.96 -23.24 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 77' ' ' GLU . 1.7 mm? -36.43 99.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.563 HG23 ' OE2' ' A' ' 77' ' ' GLU . 21.7 p -66.91 -172.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.98 -43.02 72.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 9.3 ptpt -52.57 -51.18 61.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.788 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pm0 -75.76 -39.59 56.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.551 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -52.23 -28.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -91.44 -42.25 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 57' ' ' GLY . 24.0 m -74.85 -42.66 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.788 ' N ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tp -61.62 -51.33 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -46.91 -60.03 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.703 ' CD2' HD22 ' A' ' 56' ' ' LEU . 1.2 m95 -59.24 -43.34 92.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.51 -50.59 70.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.8 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.7 m -58.99 -30.83 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 9.8 mttm -75.35 -42.31 54.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' CZ ' ' HE2' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.7 -42.75 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.99 -35.7 78.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.37 31.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 12.8 mttt -153.22 -52.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.85 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.3 m-85 -91.32 141.37 26.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.96 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.623 HG22 ' CD1' ' A' ' 29' ' ' PHE . 64.3 t -90.3 109.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.801 HG23 ' CE1' ' A' ' 3' ' ' PHE . 28.2 m -90.42 -12.01 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.96 -179.05 43.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -124.72 131.8 53.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.561 HG21 ' CB ' ' A' ' 23' ' ' ALA . 36.0 t -50.56 150.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -58.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.3 mtt -65.49 -35.21 80.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 2.1 mt-10 58.44 119.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.766 ' HB2' HG21 ' A' ' 28' ' ' VAL . 24.3 m-85 -110.34 130.02 55.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.434 HG22 HG23 ' A' ' 99' ' ' VAL . 69.7 p -79.33 154.69 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.68 -31.71 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.17 -46.34 56.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -73.39 -38.27 65.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.87 HD11 ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -60.77 -43.51 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.853 ' N ' HD13 ' A' ' 8' ' ' LEU . 9.1 t -57.55 -14.06 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 4.7 mt-30 -87.01 16.34 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 41.7 m-85 -147.19 56.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 2.0 p30 -120.81 21.16 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.32 83.41 0.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.416 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.855 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.4 mp -116.45 125.07 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.557 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.1 m-30 -129.27 136.69 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.846 HG21 ' CE1' ' A' ' 38' ' ' TYR . 41.4 t -114.95 149.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -109.52 136.04 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.667 HD11 ' CD2' ' A' ' 88' ' ' PHE . 4.4 mt -150.1 112.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.751 ' HD3' HD11 ' A' ' 81' ' ' LEU . 11.1 mmmm 71.52 11.47 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 97.66 12.57 46.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 5.2 ttm180 -112.71 129.61 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.766 HG21 ' HB2' ' A' ' 3' ' ' PHE . 75.2 t -87.56 123.03 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 51.9 m-85 -115.66 156.9 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.686 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.58 128.07 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 38' ' ' TYR . 16.3 m -131.3 7.71 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.57 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.44 -25.49 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -9.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -150.06 47.85 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -48.39 -24.04 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -61.82 -17.2 55.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 25.3 m-85 -108.12 -43.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.981 ' CD2' HG21 ' A' ' 31' ' ' VAL . 2.7 m-85 -97.6 -36.29 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -56.77 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 p -58.66 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 40' ' ' SER . . . -64.66 66.15 0.07 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.19 -135.31 4.97 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -105.67 -25.55 12.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.813 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -111.49 37.6 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 p -58.8 -31.88 68.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.606 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.23 -30.3 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 4.8 m-30 -80.01 -32.88 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -43.04 115.35 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.87 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 61.95 37.79 94.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.803 ' HB3' HG21 ' A' ' 66' ' ' VAL . 10.8 mtpt -153.88 144.94 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.745 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 66.1 t0 -77.23 79.44 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.572 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . -75.69 58.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.7 m -73.05 -54.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.641 ' HG2' HD22 ' A' ' 73' ' ' LEU . 7.2 mtm180 -61.81 -47.1 86.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -59.73 -35.6 74.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.631 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 11.3 mt -71.61 -45.86 60.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -58.66 -78.8 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.09 -18.74 10.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 10.7 mtp 75.57 29.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.658 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -98.12 163.27 12.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.8 mtpm? -110.56 38.29 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -81.63 130.37 35.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -72.26 -20.3 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.48 -22.02 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' NE ' ' A' ' 54' ' ' ARG . 2.6 m-20 -64.95 -48.91 72.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -48.82 118.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 124.34 23.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.745 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 4.74 4.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.7 145.06 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.667 HD11 ' HE3' ' A' ' 25' ' ' LYS . 50.2 mt -77.28 51.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.87 51.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 74' ' ' THR . . . 163.94 -26.17 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.641 HD22 ' HG2' ' A' ' 54' ' ' ARG . 4.1 mm? -50.73 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.8 p -75.12 -177.48 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -66.06 -43.3 87.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 5.4 ptpt -52.6 -52.37 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.768 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -75.27 -40.66 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -54.05 -47.21 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 3.4 m-20 -50.4 -52.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.682 HG22 ' CD1' ' A' ' 84' ' ' TRP . 21.7 m -79.57 -46.55 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -57.42 -57.2 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.626 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.3 t-20 -52.8 -39.27 62.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 1.7 m-20 -75.62 -29.42 59.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.682 ' CD1' HG22 ' A' ' 80' ' ' THR . 2.6 m95 -60.17 -42.47 95.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -60.9 -45.74 93.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -65.45 -35.17 80.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -73.87 -43.06 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.667 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.8 m-85 -71.66 -42.76 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.88 -19.7 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.39 -14.43 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -114.84 -70.39 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.898 ' CD2' HG12 ' A' ' 31' ' ' VAL . 10.0 m-85 -67.93 142.13 95.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HG2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -74.99 137.6 21.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 29' ' ' PHE . 39.9 t -88.42 108.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG11 ' CE1' ' A' ' 21' ' ' TYR . 27.5 m -85.78 -9.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 159.72 -179.98 34.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.684 ' HG3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -117.24 134.29 54.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.556 HG21 ' HB1' ' A' ' 23' ' ' ALA . 7.0 t -46.6 163.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -149.48 -88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.431 ' H ' HG23 ' A' ' 99' ' ' VAL . 58.2 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.9 mtm -69.23 -36.33 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 12.9 mt-10 59.45 122.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.812 ' CE1' HG23 ' A' ' 95' ' ' VAL . 59.4 m-85 -109.74 128.9 55.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.1 p -78.24 155.44 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -52.14 -27.19 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.59 -48.05 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.715 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.77 -37.61 64.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 1.4 tp -72.55 -26.01 61.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 26.9 p -76.86 -5.25 47.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 11.7 pt20 -117.07 16.46 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.725 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 20.4 m-85 -131.21 64.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.7 p30 -123.92 13.15 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.29 98.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.725 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.051 -0.404 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -107.17 110.41 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 17.5 m-85 -129.79 136.01 49.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.021 HG11 ' CZ ' ' A' ' 38' ' ' TYR . 1.8 m -116.06 149.22 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.49 150.99 26.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.676 HD11 ' CD1' ' A' ' 56' ' ' LEU . 3.6 mt -154.84 109.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.976 ' CD ' HD11 ' A' ' 81' ' ' LEU . 2.5 mmmp? 65.12 18.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.8 13.66 49.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.585 HH11 HG11 ' A' ' 94' ' ' VAL . 1.2 ttm-85 -112.9 129.35 56.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.801 HG21 ' HB2' ' A' ' 3' ' ' PHE . 99.4 t -87.17 121.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 27' ' ' ARG . 39.4 m-85 -114.14 142.83 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.639 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -88.75 123.76 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.976 HG21 ' CG ' ' A' ' 38' ' ' TYR . 10.3 m -125.51 1.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.526 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -52.04 -25.37 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.96 -10.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.76 49.32 0.49 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.4 ptmt -49.14 -23.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -18.28 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 43' ' ' ASP . 87.0 m-85 -108.68 -43.58 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.021 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -92.07 -39.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.99 175.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -36.51 130.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.81 87.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -151.02 -179.65 26.94 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -41.24 -51.62 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.851 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.6 m-85 -103.97 58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -72.98 -28.66 62.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -84.3 -32.8 24.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.696 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 5.0 m-30 -75.53 -33.72 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -48.51 126.56 11.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.9 37.33 52.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 7.8 mtpt -161.29 150.53 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.723 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 29.2 t0 -80.81 102.79 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.675 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -91.56 52.5 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.88 -54.82 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.903 ' HG2' HD21 ' A' ' 73' ' ' LEU . 4.2 mtm180 -67.44 -40.32 85.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.795 ' HB2' ' OD1' ' A' ' 65' ' ' ASP . . . -59.11 -44.39 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.676 ' CD1' HD11 ' A' ' 24' ' ' ILE . 8.1 mt -71.73 -44.9 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -56.96 -74.15 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -60.92 -27.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 74.94 38.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -33.51 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.5 mttt 72.12 10.91 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.499 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.1 m120 -72.2 140.25 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -19.42 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.03 -18.32 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.795 ' OD1' ' HB2' ' A' ' 55' ' ' ALA . 1.3 p30 -81.96 -34.36 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.577 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -48.87 118.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 8.0 p -123.67 122.69 26.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.723 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.07 9.7 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.571 1.827 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.22 138.93 14.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.853 HD23 ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -76.95 52.54 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.11 13.86 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.14 28.74 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.903 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -90.07 121.49 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.607 HG22 ' HG2' ' A' ' 77' ' ' GLU . 4.7 t -86.96 -178.65 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.568 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -65.94 -41.46 91.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -50.65 -50.8 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.892 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.3 pt-20 -80.99 -42.81 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.568 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER -47.85 -27.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -86.8 -45.51 10.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.983 HG22 ' CD1' ' A' ' 84' ' ' TRP . 95.5 m -77.81 -45.55 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.976 HD11 ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.57 -57.19 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.568 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.6 m-80 -53.12 -47.53 68.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -67.35 -34.43 77.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.983 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.6 m95 -63.76 -39.27 93.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -62.06 -44.28 97.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.87 -33.47 76.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 2.1 mttt -73.43 -43.83 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -72.43 -41.74 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.87 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.37 -14.33 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -65.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.786 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.4 m-85 -74.69 140.4 74.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 134.46 17.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.585 HG11 HH11 ' A' ' 27' ' ' ARG . 47.2 t -89.25 107.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.812 HG23 ' CE1' ' A' ' 3' ' ' PHE . 33.0 m -85.52 -13.06 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 163.0 -179.44 38.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.526 ' NH2' HG12 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -114.45 140.68 48.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 2.5 t -47.58 165.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.527 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.48 -84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 56.0 mmm -64.95 -27.33 68.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.9 mt-10 55.96 111.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.66 ' HB2' HG21 ' A' ' 28' ' ' VAL . 66.6 m-85 -107.89 129.37 55.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.499 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 64.7 p -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.51 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 1.4 mt-10 -71.36 -47.23 57.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -74.88 -41.08 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.85 HD13 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -59.95 -36.27 76.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -68.85 -7.63 36.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CG ' ' HA ' ' A' ' 7' ' ' GLN . 13.1 mm100 -85.33 -27.86 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.655 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -102.64 65.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -111.5 11.17 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 66.96 91.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.3 mt -123.61 102.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 1.096 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 8.5 m-30 -120.14 134.38 55.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.973 HG11 ' OH ' ' A' ' 38' ' ' TYR . 9.8 t -114.06 148.68 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -109.18 131.29 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.574 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 3.9 mt -137.2 109.56 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 4.3 mtpp 68.56 12.69 8.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 100.06 13.94 35.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HD3' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -114.03 127.02 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.85 HG22 HD13 ' A' ' 8' ' ' LEU . 26.0 t -81.1 122.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 37.7 m-85 -115.27 159.06 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.567 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -101.81 125.36 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.034 HG21 ' CD2' ' A' ' 38' ' ' TYR . 5.1 m -127.73 6.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.567 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.52 -25.68 7.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 p -56.32 -9.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.9 45.74 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.6 pttt -49.44 -24.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.39 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 42.5 m-85 -107.72 -43.23 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.034 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -94.67 -39.02 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -48.25 178.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.2 p -37.81 132.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.84 82.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -142.46 177.91 21.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 48.8 m-20 -45.88 -50.95 13.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.837 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.4 m-85 -97.8 56.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 3.1 m -73.07 -33.51 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.537 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.53 -22.82 34.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.704 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.5 m-30 -84.23 -35.6 23.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.17 134.86 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 49.94 32.73 19.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.652 ' HB3' HG21 ' A' ' 66' ' ' VAL . 35.5 mtpt -157.23 152.19 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.697 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 62.7 t0 -90.43 94.14 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.952 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -84.83 49.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 p -75.48 -47.57 26.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 73' ' ' LEU . 4.8 mtm180 -63.85 -47.93 78.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -57.97 -41.05 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.952 HD13 ' O ' ' A' ' 52' ' ' ALA . 5.0 mp -57.65 -37.01 72.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.96 -81.45 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.3 OUTLIER -56.84 -26.09 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.669 ' SD ' HG21 ' A' ' 80' ' ' THR . 0.0 OUTLIER 68.93 50.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 -17.69 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 46' ' ' MET . 0.4 OUTLIER 60.21 14.4 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.575 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.0 m120 -61.85 139.89 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -72.08 -20.69 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -22.1 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 5.3 m-20 -72.19 -47.9 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.661 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -47.62 118.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -136.12 136.33 22.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.697 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 6.97 3.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.58 133.58 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.22 23.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.83 58.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.12 -26.79 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -46.85 111.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.847 HG23 ' OE2' ' A' ' 77' ' ' GLU . 27.9 p -78.31 -171.37 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.61 -42.75 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 4.8 ptpt -51.78 -51.93 52.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.847 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.3 pm0 -75.01 -41.14 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -56.47 -49.72 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -51.75 -47.61 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.669 HG21 ' SD ' ' A' ' 59' ' ' MET . 48.9 m -80.56 -49.94 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.39 -58.59 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.2 t-20 -49.12 -35.41 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.18 -32.92 56.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.926 ' HB3' HD23 ' A' ' 56' ' ' LEU . 21.0 m95 -59.78 -30.68 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -65.07 -52.01 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.2 m -58.69 -30.22 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.592 ' HE2' ' CE3' ' A' ' 84' ' ' TRP . 10.5 mtpt -77.91 -40.85 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.613 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.0 OUTLIER -81.22 -39.39 25.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -70.7 -33.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -89.45 19.84 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 3.8 mttt -146.07 -61.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.903 ' CD2' HG12 ' A' ' 31' ' ' VAL . 18.1 m-85 -86.87 128.45 56.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.98 24.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.8 OUTLIER -93.14 109.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.096 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 32.3 m -89.53 2.91 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 169.49 173.44 37.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.672 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.91 127.32 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' GLY . 14.0 t -44.81 146.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -151.59 -52.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.522 ' N ' HG12 ' A' ' 99' ' ' VAL . 48.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmm -62.91 -38.25 90.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.2 mt-10 57.51 115.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.853 ' HB2' HG21 ' A' ' 28' ' ' VAL . 46.5 m-85 -109.32 130.64 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.433 ' HB ' ' C ' ' A' ' 100' ' ' SER . 41.7 p -76.41 154.77 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.44 -30.01 38.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.7 mt-10 -72.02 -46.12 58.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -73.2 -42.33 62.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.548 HD13 HG22 ' A' ' 28' ' ' VAL . 1.5 tp -58.43 -33.47 69.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -70.55 -7.13 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 2.8 mt-30 -99.21 6.59 46.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 71.6 m-85 -131.46 57.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 1.2 p-10 -107.11 11.36 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.59 95.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.0 mp -100.62 123.72 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HB3' HG13 ' A' ' 28' ' ' VAL . 20.7 m-30 -129.04 129.4 45.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.865 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 10.9 t -109.61 151.99 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -109.38 131.96 54.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD11 HD13 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -136.16 110.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.773 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.7 mtpm? 63.7 15.36 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.57 16.69 28.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.672 ' CD ' ' CZ ' ' A' ' 29' ' ' PHE . 14.2 ttm180 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.853 HG21 ' HB2' ' A' ' 3' ' ' PHE . 41.1 t -82.0 120.88 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.672 ' CZ ' ' CD ' ' A' ' 27' ' ' ARG . 31.8 m-85 -112.93 167.76 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -111.56 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.037 HG21 ' CD2' ' A' ' 38' ' ' TYR . 6.2 m -128.47 6.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.524 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.07 -23.88 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -54.71 -10.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.52 49.45 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -49.57 -27.47 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.546 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -59.39 -15.17 15.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CA ' ' HB2' ' A' ' 43' ' ' ASP . 13.7 m-85 -108.9 -43.2 4.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.037 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -96.0 -40.37 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -59.07 -104.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.41 74.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 36' ' ' SER . . . -148.93 -44.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.619 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . 129.12 131.87 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.626 ' HB2' ' CA ' ' A' ' 37' ' ' PHE . 1.3 m-20 145.07 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.903 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 8.2 m-85 -147.19 20.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -28.64 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.947 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.08 -26.02 34.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.758 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 11.7 m-30 -87.49 -34.63 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 127.97 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 58.24 30.99 65.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.8 mtpt -158.99 151.07 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.734 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 46.6 t0 -85.82 109.09 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -96.85 52.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -53.43 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.679 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.92 -45.01 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.72 -34.78 73.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 52' ' ' ALA . 15.4 mt -72.17 -47.08 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -60.33 -68.94 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 9.8 mttm -60.48 -26.59 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtp 67.67 48.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -22.55 12.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 60.38 20.14 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 24.5 t-20 -70.18 129.29 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -57.5 -18.87 21.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.31 -22.03 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 7.5 m-20 -75.75 -17.94 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -71.03 92.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 63.5 p -115.23 127.95 26.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.734 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 6.0 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.74 122.42 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -78.48 54.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.57 14.59 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.51 24.2 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.679 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -80.56 102.62 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.063 HG22 ' CD ' ' A' ' 77' ' ' GLU . 9.0 t -70.82 -170.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 1.3 mt-10 -69.44 -42.25 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.91 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 1.063 ' CD ' HG22 ' A' ' 74' ' ' THR . 1.9 pm0 -75.28 -44.09 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.21 -29.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -86.19 -46.68 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.705 HG22 ' CD1' ' A' ' 84' ' ' TRP . 22.1 m -75.89 -46.85 27.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.27 -56.02 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.558 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.8 m-20 -48.6 -54.72 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.705 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -59.83 -40.76 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 4.3 tt0 -60.99 -49.37 77.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 m -59.98 -32.96 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.1 mttm -76.48 -39.1 54.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -77.95 -40.11 40.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.91 -30.96 64.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -84.0 8.77 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -136.76 -62.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.914 ' CG ' HG12 ' A' ' 31' ' ' VAL . 22.3 m-85 -84.88 127.95 62.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 144.46 30.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -97.62 111.28 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.6 10.16 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 160.74 171.05 26.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -119.83 127.05 52.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.591 HG21 ' HB1' ' A' ' 23' ' ' ALA . 9.5 t -46.22 126.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -89.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.433 ' C ' ' HB ' ' A' ' 4' ' ' THR . 71.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . 0.543 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 47.3 mtp -72.31 -33.33 67.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.8 mt-10 52.49 105.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.829 ' HB2' HG21 ' A' ' 28' ' ' VAL . 65.4 m-85 -108.2 131.22 54.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -75.1 155.1 37.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.53 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 31.6 mt-10 -71.5 -46.6 59.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.593 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 58.2 mm-40 -72.95 -37.15 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.023 HD13 HG22 ' A' ' 28' ' ' VAL . 1.1 tp -65.78 -30.02 70.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -76.69 4.14 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 10.5 mt-30 -99.51 13.71 32.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 33.7 m-85 -139.33 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.585 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -89.77 16.39 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.11 103.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.9 mp -123.89 118.13 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.649 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.1 m-30 -124.7 138.2 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.961 HG11 ' OH ' ' A' ' 38' ' ' TYR . 4.1 t -116.84 149.89 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.26 132.3 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 ' CG2' ' HB2' ' A' ' 85' ' ' GLU . 4.8 mt -142.16 112.24 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.679 ' HE3' HD23 ' A' ' 70' ' ' LEU . 10.3 mmmm 67.11 13.4 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.13 33.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HD3' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -116.09 128.49 55.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.023 HG22 HD13 ' A' ' 8' ' ' LEU . 39.9 t -82.26 121.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 52.3 m-85 -116.79 146.27 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 1.9 m-20 -92.73 131.05 38.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.103 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.1 m -132.44 8.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -52.01 -24.41 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.448 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -56.6 -9.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.32 46.52 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -50.1 -23.46 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.88 -18.26 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 11.3 m-85 -108.18 -45.12 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.103 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -91.07 -37.57 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -43.27 169.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.9 t -36.08 126.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.8 87.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.84 -177.34 26.34 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -40.09 -50.72 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.823 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.9 m-85 -105.92 60.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -74.07 -32.56 63.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.95 -29.61 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.598 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 8.9 m-30 -78.36 -34.25 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -47.13 131.25 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 46.93 37.09 9.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.734 ' HB3' HG11 ' A' ' 66' ' ' VAL . 3.2 mtpm? -158.54 149.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.764 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.866 ' O ' HG13 ' A' ' 66' ' ' VAL . 13.2 t0 -88.1 119.9 28.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -109.97 60.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.43 ' HB3' HD22 ' A' ' 81' ' ' LEU . 1.2 m -74.03 -55.9 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.844 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -69.08 -40.58 78.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -60.41 -41.37 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 34.7 mt -70.02 -49.36 52.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.725 ' O ' HG21 ' A' ' 80' ' ' THR . . . -54.93 -75.16 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -21.03 56.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.8 mtp 74.99 45.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.756 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -124.08 143.71 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -90.69 20.88 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . 2.8 m120 -57.28 148.09 23.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.18 -24.14 51.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.67 -20.96 23.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 2.7 m-20 -68.88 -17.37 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 51' ' ' ASP . 21.8 t -80.95 98.73 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -120.9 125.16 27.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.791 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -74.98 6.23 3.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.511 1.796 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.12 140.14 22.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.679 HD23 ' HE3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -73.69 54.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.5 pt-20 -98.32 67.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.48 -8.99 2.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 54' ' ' ARG . 1.9 mm? -57.49 108.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 1.4 p -78.79 -169.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.15 -43.07 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.06 -51.24 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -76.72 -44.99 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.53 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.83 -30.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -83.69 -44.46 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.725 HG21 ' O ' ' A' ' 57' ' ' GLY . 19.9 m -75.89 -47.13 26.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -58.44 -54.9 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -45.79 -52.36 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -63.72 -38.58 91.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -59.31 -45.08 92.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 6.7 tt0 -61.43 -49.2 77.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.7 m -60.22 -32.54 71.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 12.1 mttm -76.06 -39.75 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER -78.56 -40.5 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.74 -30.08 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -87.81 0.84 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -126.24 -68.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.897 ' CG ' HG12 ' A' ' 31' ' ' VAL . 14.2 m-85 -76.47 133.1 71.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.05 137.32 21.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -94.01 108.57 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.536 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 13.2 m -86.0 3.35 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 165.23 172.78 33.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.567 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.56 129.75 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.577 HG21 ' HB1' ' A' ' 23' ' ' ALA . 55.9 t -50.69 149.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 -51.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.618 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -90.1 34.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.4 mt-10 -17.86 121.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.834 ' HB2' HG21 ' A' ' 28' ' ' VAL . 29.4 m-85 -108.24 130.8 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 100' ' ' SER . 58.6 p -81.8 152.0 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.11 -28.81 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.26 -47.13 58.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.1 mp0 -74.15 -41.49 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.801 HD13 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.796 ' N ' HD13 ' A' ' 8' ' ' LEU . 43.4 t -58.25 -13.19 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 7.4 mm100 -77.5 -13.48 59.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 14.8 m-85 -128.95 68.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.439 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -119.74 21.78 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.66 ' O ' HG23 ' A' ' 14' ' ' THR . . . 80.58 86.66 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.4 mp -123.74 129.8 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.557 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.4 m-30 -127.38 138.79 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.964 HG11 ' OH ' ' A' ' 38' ' ' TYR . 6.2 t -118.25 147.44 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.631 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -107.66 137.58 45.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.633 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.8 mt -147.62 110.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.696 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.1 mtpm? 67.79 13.07 9.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.41 15.51 32.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 1.2 ttm180 -114.59 131.03 56.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' ' 3' ' ' PHE . 85.1 t -88.35 126.99 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' HG22 ' A' ' 94' ' ' VAL . 49.1 m-85 -121.43 151.87 39.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.62 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.34 126.13 42.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.076 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.2 m -128.73 5.81 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.573 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.03 -23.63 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 33' ' ' THR . 25.5 p -55.58 -9.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.5 48.12 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.3 pttt -49.28 -25.03 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -17.53 15.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.607 ' O ' ' N ' ' A' ' 43' ' ' ASP . 74.3 m-85 -109.08 -41.9 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.076 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -96.54 -37.64 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -53.22 -115.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.12 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.057 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 64.19 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.98 -139.8 7.21 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.6 m-20 -94.9 -32.13 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 m-85 -110.84 49.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 p -66.41 -31.64 72.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.532 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.88 -30.07 24.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.9 m-30 -72.65 -36.01 67.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -45.3 126.18 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.796 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 49.74 39.68 31.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' HG11 ' A' ' 66' ' ' VAL . 21.1 mtmt -156.86 139.64 15.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.734 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 11.9 t0 -77.04 112.86 14.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.717 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -104.96 58.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 73' ' ' LEU . 27.1 p -74.21 -54.03 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.7 mtm180 -67.49 -40.59 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -61.01 -45.19 95.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.943 HD23 ' HB3' ' A' ' 84' ' ' TRP . 5.1 mp -61.48 -48.83 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.597 ' O ' HG21 ' A' ' 80' ' ' THR . . . -52.3 -80.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG3' ' OE1' ' A' ' 77' ' ' GLU . 2.4 mttm -56.53 -20.94 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 mtp 74.25 42.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.6 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -115.04 168.84 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -110.5 17.76 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.6 146.3 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.22 -23.58 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -20.5 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 11.6 m-20 -68.54 -26.11 65.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -78.17 90.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 2.3 t -119.09 129.48 25.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.734 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.0 7.94 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -150.77 106.43 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.711 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -33.02 -48.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.69 ' C ' ' O ' ' A' ' 70' ' ' LEU . 16.4 mt-10 -0.81 77.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 138.63 -39.08 1.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -40.48 114.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.838 HG23 ' OE2' ' A' ' 77' ' ' GLU . 29.2 p -77.97 -170.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -69.2 -42.23 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.4 ptpt -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.838 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.8 pm0 -75.46 -42.11 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.98 -28.21 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -84.76 -47.31 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 57' ' ' GLY . 24.2 m -75.12 -46.96 31.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.759 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -55.97 -54.67 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.506 ' N ' HD13 ' A' ' 81' ' ' LEU . 2.1 m-80 -53.37 -37.82 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -71.39 -34.55 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.943 ' HB3' HD23 ' A' ' 56' ' ' LEU . 12.7 m95 -61.34 -38.43 86.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -67.53 -47.28 70.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -63.19 -33.7 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.5 mttt -73.72 -39.66 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.633 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.1 m-30 -75.8 -42.95 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.9 -19.46 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -90.5 -9.82 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -69.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.964 ' CD2' HG12 ' A' ' 31' ' ' VAL . 11.2 m-85 -67.2 138.89 94.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.01 139.49 24.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' CE1' ' A' ' 29' ' ' PHE . 35.3 t -91.84 109.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.9 m -88.13 -6.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.97 -176.94 38.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.617 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -126.96 129.37 48.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.631 HG21 ' HB1' ' A' ' 23' ' ' ALA . 37.8 t -45.13 150.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.439 HG21 ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -152.42 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 99' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 mmm -65.87 -35.36 80.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.3 mt-10 57.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.725 ' HB2' HG21 ' A' ' 28' ' ' VAL . 9.4 m-85 -109.9 129.98 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.562 HG22 HG23 ' A' ' 99' ' ' VAL . 38.2 p -80.89 158.49 25.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -27.11 19.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 2.4 mt-10 -72.82 -47.32 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -73.93 -41.87 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.41 -34.95 71.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 t -69.58 -6.96 34.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 1.2 mt-30 -103.13 16.9 25.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 48.0 m-85 -140.96 56.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.49 4.32 30.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 76.18 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.591 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.2 mp -104.15 121.6 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.933 ' CE1' HG11 ' A' ' 95' ' ' VAL . 22.6 m-85 -129.62 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.872 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 14.2 t -121.21 152.16 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.46 136.34 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.493 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -140.39 112.43 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.668 ' HD3' HD11 ' A' ' 81' ' ' LEU . 5.0 mmmt 57.58 19.91 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.59 15.24 38.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.527 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -112.06 128.08 56.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 88.4 t -84.04 123.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m-85 -120.29 153.65 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -104.26 125.63 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.114 HG21 ' CD2' ' A' ' 38' ' ' TYR . 20.2 m -123.91 11.03 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -52.57 -27.58 17.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -9.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.96 46.12 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 39' ' ' GLY . 2.9 ptmt -51.09 -24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -17.74 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 43' ' ' ASP . 96.8 m-85 -108.42 -43.15 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.114 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -92.59 -39.29 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.18 176.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -36.88 133.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.3 80.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -141.68 179.29 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -45.23 -50.15 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.7 m-85 -100.86 59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.2 t -73.87 -32.74 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.15 -28.11 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.5 m-30 -78.54 -36.36 44.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -47.9 121.78 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.11 32.8 85.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.789 ' HB3' HG21 ' A' ' 66' ' ' VAL . 12.7 mttt -157.04 152.0 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.734 ' C ' HG23 ' A' ' 66' ' ' VAL . 54.3 t0 -86.86 87.74 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.742 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -83.23 51.55 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 p -74.77 -48.05 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.543 ' HG2' HD21 ' A' ' 73' ' ' LEU . 6.6 mtm180 -68.1 -45.68 73.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.28 -36.88 76.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 8.2 mt -70.76 -40.37 72.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.718 ' O ' HG21 ' A' ' 80' ' ' THR . . . -59.84 -76.54 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.105 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.6 OUTLIER -61.32 -21.63 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.94 45.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -97.06 -37.28 10.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 2.9 mtmm 76.06 12.85 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.85 137.04 57.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -66.65 -21.98 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.1 -20.45 22.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.8 m-20 -69.58 -46.01 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.789 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.97 118.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' NE ' ' A' ' 54' ' ' ARG . 9.7 p -130.27 126.29 22.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.718 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 5.66 3.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.43 155.45 44.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.87 50.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.57 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.85 -27.46 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.879 HD12 ' OE1' ' A' ' 77' ' ' GLU . 3.4 mm? -45.05 101.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.716 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 30.4 p -82.6 -174.91 5.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -67.63 -45.16 76.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 3.6 ptpt -52.04 -48.46 64.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.879 ' OE1' HD12 ' A' ' 73' ' ' LEU . 2.3 pp20? -75.38 -40.26 58.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -50.56 -25.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -86.13 -43.91 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.718 HG21 ' O ' ' A' ' 57' ' ' GLY . 17.9 m -79.23 -47.4 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -56.54 -55.66 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.9 m-80 -47.76 -56.36 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -34.06 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.87 -37.33 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.007 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.53 -44.29 96.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -63.58 -32.79 74.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 84' ' ' TRP . 6.2 mtpt -73.57 -43.13 60.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' TYR . 2.2 m-85 -77.21 -36.95 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 5.9 mm-40 -72.53 -30.58 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -97.5 23.9 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 21.8 mttm -150.71 -67.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.905 ' CD2' HG12 ' A' ' 31' ' ' VAL . 16.4 m-85 -79.79 133.66 58.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 145.46 31.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.432 HG11 HH11 ' A' ' 27' ' ' ARG . 34.6 t -91.9 108.51 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.933 HG11 ' CE1' ' A' ' 21' ' ' TYR . 2.5 m -85.23 -3.46 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 155.48 -174.65 33.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -122.11 135.67 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.54 HG21 ' HB1' ' A' ' 23' ' ' ALA . 22.3 t -56.81 128.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.562 HG23 HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -108.38 -55.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' GLU . 12.3 mtt -74.32 -33.63 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.436 ' HG2' ' NE ' ' A' ' 97' ' ' ARG . 1.4 mp0 54.96 109.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.784 ' HB2' HG21 ' A' ' 28' ' ' VAL . 25.6 m-85 -108.32 128.48 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.486 HG22 HG23 ' A' ' 99' ' ' VAL . 68.9 p -79.68 155.26 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.68 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.5 -46.04 56.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.548 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.0 tm0? -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.861 HD11 ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -58.35 -43.0 88.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.812 ' N ' HD13 ' A' ' 8' ' ' LEU . 76.8 p -58.17 -14.91 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 8.0 mm100 -70.6 -12.51 61.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 21.5 m-85 -132.58 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.6 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.7 p-10 -93.39 22.96 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.96 105.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.605 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.928 HG21 ' HB3' ' A' ' 38' ' ' TYR . 4.8 mt -125.19 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.652 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.0 m-30 -127.76 134.76 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 15.4 t -113.33 150.1 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.27 132.22 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.616 HG22 ' HB2' ' A' ' 85' ' ' GLU . 82.9 mt -147.2 115.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.871 ' HD2' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 68.51 12.81 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.65 13.58 50.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.4 ttm-85 -114.33 133.75 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' ' 3' ' ' PHE . 54.0 t -87.73 121.6 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CD1' HG22 ' A' ' 94' ' ' VAL . 57.4 m-85 -115.37 151.16 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.664 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.24 127.77 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.899 HG12 ' CE2' ' A' ' 92' ' ' TYR . 32.6 m -129.45 5.52 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.547 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.44 -22.47 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 33' ' ' THR . 30.2 p -53.94 -9.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -149.23 53.19 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -49.84 -24.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -16.34 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.627 ' O ' ' N ' ' A' ' 43' ' ' ASP . 38.3 m-85 -107.56 -32.39 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.928 ' HB3' HG21 ' A' ' 20' ' ' ILE . 5.3 m-85 -106.38 -40.1 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.37 172.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 t -33.3 136.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 38.26 54.27 2.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -106.14 168.3 14.86 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.2 m-20 -39.55 -56.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.637 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 4.0 m-85 -92.21 37.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLY . 62.5 p -52.04 -23.73 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -85.35 -32.14 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.637 ' CD2' ' HB3' ' A' ' 44' ' ' TYR . 6.8 m-30 -78.39 -34.97 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -43.1 113.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.861 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 60.08 38.7 94.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' HB3' HG11 ' A' ' 66' ' ' VAL . 1.5 mtpm? -156.31 143.02 18.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.653 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 5.9 t0 -84.07 101.33 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -93.52 59.57 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.723 ' HA ' HD23 ' A' ' 81' ' ' LEU . 14.9 m -74.08 -53.91 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.62 -36.56 78.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.525 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -68.23 -38.0 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 52' ' ' ALA . 25.7 mt -71.29 -46.87 59.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -50.87 -74.15 0.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.7 OUTLIER -64.27 -20.23 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 5.9 mtp 67.35 50.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.89 -32.33 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 47' ' ' PHE . 0.9 OUTLIER 72.28 4.75 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 64' ' ' GLU . 8.9 t-20 -57.36 136.82 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.48 59.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.513 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -91.13 -22.42 20.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-20 -81.41 4.36 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 50' ' ' LYS . 2.7 t -91.08 96.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 4.2 p -123.74 123.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.653 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.25 109.73 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.871 HD11 ' HD2' ' A' ' 25' ' ' LYS . 20.3 mt -37.52 -48.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 41.7 mt-10 -2.06 81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 127.88 -34.05 3.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.591 HD13 HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -49.2 110.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.024 HG22 ' CD ' ' A' ' 77' ' ' GLU . 7.6 t -80.58 -169.16 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.476 ' N ' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -68.52 -40.83 80.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.01 -52.82 48.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 1.024 ' CD ' HG22 ' A' ' 74' ' ' THR . 1.5 pm0 -75.48 -43.83 47.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -53.75 -47.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -51.08 -53.86 30.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.936 HG22 ' CD1' ' A' ' 84' ' ' TRP . 52.7 m -78.75 -46.82 18.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.781 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -56.67 -57.1 13.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 78' ' ' ILE . 8.5 t-20 -55.68 -50.81 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.455 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 5.9 t0 -63.49 -31.69 72.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.936 ' CD1' HG22 ' A' ' 80' ' ' THR . 3.2 m95 -58.98 -41.85 88.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.616 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -61.9 -45.31 94.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -64.66 -34.3 77.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' OD1' ' A' ' 83' ' ' ASP . 36.6 mtpt -74.38 -42.47 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 24' ' ' ILE . 1.5 m-85 -73.36 -42.75 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.78 -18.62 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -92.71 -10.65 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -120.13 -71.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.899 ' CE2' HG12 ' A' ' 31' ' ' VAL . 11.8 m-85 -65.46 141.05 97.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG2' ' HB3' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.05 138.2 22.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 29' ' ' PHE . 32.9 t -91.61 110.02 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.54 -9.61 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.9 177.41 38.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -121.71 131.71 54.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 23' ' ' ALA . 51.5 t -49.69 146.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.486 HG23 HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -131.23 -48.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' GLU . 36.8 mtp -78.38 -28.2 46.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.9 mt-10 49.33 99.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' A' ' 97' ' ' ARG . 80.4 m-85 -107.18 134.19 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 p -80.14 151.69 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 -30.49 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 13.2 mt-10 -66.99 -48.27 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 2.1 mp0 -75.19 -43.32 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.705 HD13 HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -59.88 -36.62 77.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 t -67.04 -8.59 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 11.8 mm100 -84.89 -27.14 26.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.624 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -105.93 53.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.888 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -88.91 13.49 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 65.64 89.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.385 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.2 mt -124.4 103.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 1.037 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 10.8 m-30 -120.45 139.84 52.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.809 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 61.9 t -112.89 165.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.686 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -130.62 130.45 43.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.831 HD11 ' CD2' ' A' ' 56' ' ' LEU . 2.0 mt -142.74 109.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CG ' HD11 ' A' ' 81' ' ' LEU . 6.1 mtpp 70.4 13.03 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.488 ' C ' ' HB ' ' A' ' 98' ' ' VAL . . . 97.55 12.73 46.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -108.78 125.92 52.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.865 HG23 HG23 ' A' ' 98' ' ' VAL . 17.4 t -81.15 121.98 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 47.9 m-85 -116.85 153.53 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.632 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -100.09 123.28 44.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.06 HG21 ' CD2' ' A' ' 38' ' ' TYR . 9.0 m -123.25 5.57 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.562 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.41 -25.31 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -55.43 -9.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.06 49.3 0.52 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.03 -23.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -17.59 26.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' ASP . 60.7 m-85 -108.19 -41.6 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.06 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -96.56 -36.72 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.68 -179.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.0 t -33.71 125.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.64 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -144.01 -175.43 17.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -47.09 -47.25 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.869 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 7.1 m-85 -101.15 57.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -73.06 -32.04 64.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -29.94 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.609 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 15.9 m-30 -77.76 -36.66 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.888 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -47.06 127.91 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 51.81 34.55 37.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.789 ' HB3' HG11 ' A' ' 66' ' ' VAL . 11.3 mttm -157.04 149.61 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.889 ' O ' HG13 ' A' ' 66' ' ' VAL . 28.7 t0 -86.48 124.4 32.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.609 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -115.71 54.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.3 t -75.01 -56.33 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.665 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.1 -34.45 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . . . -59.88 -46.07 90.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.985 HD23 ' HB3' ' A' ' 84' ' ' TRP . 3.2 mp -62.69 -44.95 94.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.593 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.33 -76.07 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' CE ' ' HD3' ' A' ' 54' ' ' ARG . 17.5 mttm -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 79.9 mtp 67.63 54.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -109.45 -21.07 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.94 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 54.45 18.75 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.626 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.0 m120 -62.17 155.77 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.65 -21.14 45.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.1 -35.24 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.766 ' CG ' ' HB2' ' A' ' 55' ' ' ALA . 43.3 p30 -56.71 -24.07 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 51' ' ' ASP . 52.8 t -48.02 104.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -116.39 108.9 44.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.761 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.2 2.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.17 135.76 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -79.24 52.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -101.41 55.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.56 -26.19 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -40.39 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.869 HG23 ' OE2' ' A' ' 77' ' ' GLU . 27.0 p -77.69 -172.35 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.27 -43.11 78.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.94 -51.29 58.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.869 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.6 pm0 -76.69 -41.65 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.54 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -52.16 -28.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.18 -47.44 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 57' ' ' GLY . 56.7 m -74.42 -46.77 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.775 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -58.33 -56.37 22.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.547 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -46.8 -49.04 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -61.41 -38.97 89.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.985 ' HB3' HD23 ' A' ' 56' ' ' LEU . 7.0 m95 -61.92 -35.98 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -63.53 -50.69 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.822 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.5 m -60.56 -30.37 69.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.2 mtpm? -75.72 -40.44 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' CD2' ' HD2' ' A' ' 92' ' ' TYR . 1.2 m-85 -81.25 -42.78 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.599 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.91 -35.49 76.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.61 30.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 73.3 mttt -152.3 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.894 ' CD2' HG12 ' A' ' 31' ' ' VAL . 16.3 m-85 -91.18 133.83 31.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.01 137.07 21.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 28' ' ' VAL . 38.3 t -84.08 106.69 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.037 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 28.3 m -82.25 -33.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.452 ' C ' ' HB ' ' A' ' 28' ' ' VAL . . . -156.83 -158.89 9.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -136.15 146.99 47.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.865 HG23 HG23 ' A' ' 28' ' ' VAL . 23.5 t -85.26 135.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -127.38 -88.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.448 ' H ' HG23 ' A' ' 99' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -73.93 -34.0 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 1.4 mt-10 59.39 107.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.641 ' HB2' HG21 ' A' ' 28' ' ' VAL . 91.3 m-85 -109.35 127.4 54.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.8 p -78.99 163.37 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.73 -30.82 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.85 -47.04 61.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.772 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.7 mt-30 -72.57 -33.49 66.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.883 HD13 HG22 ' A' ' 28' ' ' VAL . 2.2 tp -77.3 -23.72 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 18.8 t -80.36 -3.89 51.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.0 pt20 -113.14 24.99 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.772 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.3 m-85 -142.08 51.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.8 p-10 -109.35 15.73 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 102.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.9 mp -93.74 117.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.173 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.549 ' CE1' HG21 ' A' ' 95' ' ' VAL . 16.0 m-30 -129.35 128.57 43.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.817 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 14.5 t -106.91 177.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.719 ' H ' HG12 ' A' ' 22' ' ' VAL . . . -138.02 135.33 35.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.511 HD12 ' CD2' ' A' ' 88' ' ' PHE . 8.0 mt -147.26 109.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 4.2 mmmt 72.4 14.02 5.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.526 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 95.94 8.67 57.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 3.1 ttm180 -107.39 128.73 54.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 98' ' ' VAL . 10.0 t -84.44 121.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.663 ' CD1' HG22 ' A' ' 94' ' ' VAL . 47.1 m-85 -114.93 161.02 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.628 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -103.88 127.31 51.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.978 HG21 ' CD2' ' A' ' 38' ' ' TYR . 12.1 m -127.7 4.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -51.79 -23.76 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -54.79 -10.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.45 47.84 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' GLY . 25.7 pttt -49.5 -24.09 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -57.92 -18.7 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' ASP . 24.9 m-85 -109.09 -44.91 3.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.978 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.39 -38.35 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.933 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -76.73 165.59 53.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLY . 30.1 t 38.56 50.45 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 35.51 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -128.61 -143.1 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -38.38 -44.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.2 m-85 -115.26 53.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 p -69.39 -32.04 70.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.71 -28.94 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.8 m-30 -81.32 -36.22 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 119.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.505 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 59.26 37.34 91.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.641 ' HB3' HG21 ' A' ' 66' ' ' VAL . 12.2 mtpt -156.22 148.67 23.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 39.0 t0 -85.97 87.65 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.964 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -81.19 53.92 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 6.0 p -77.36 -47.7 19.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 67' ' ' SER . 6.9 mtp180 -66.34 -44.48 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.55 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.24 -42.7 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.032 HD23 ' HB3' ' A' ' 84' ' ' TRP . 6.8 mp -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.491 ' O ' HG21 ' A' ' 80' ' ' THR . . . -58.86 -75.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.57 -26.5 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 13.2 mtp 68.26 47.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -108.73 -15.28 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.55 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 52.69 19.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.577 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.1 m120 -67.38 140.0 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -68.53 -21.05 64.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.97 -21.55 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 5.7 m-20 -73.05 -46.4 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.665 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -52.13 119.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -136.63 135.23 20.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.687 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.26 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 73' ' ' LEU . 69.9 mt -26.64 -55.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.19 -156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.68 47.54 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -59.49 114.83 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.762 HG22 ' CG ' ' A' ' 77' ' ' GLU . 6.3 t -74.92 -174.49 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -67.68 -43.59 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 5.9 ptpt -51.21 -47.95 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.846 ' HB2' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -80.26 -43.09 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -52.33 -29.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -88.94 -44.27 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 57' ' ' GLY . 63.5 m -76.25 -48.55 19.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.799 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -57.68 -59.76 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 2.9 m-20 -50.52 -40.82 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -66.4 -38.53 87.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 1.032 ' HB3' HD23 ' A' ' 56' ' ' LEU . 7.9 m95 -59.33 -38.05 79.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 10.8 tt0 -63.1 -46.35 87.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.682 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.5 m -62.33 -25.02 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 1.8 mttm -85.98 -37.68 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.511 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -77.75 -46.63 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.616 ' OE1' ' N ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -69.57 -19.17 63.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -104.49 25.42 10.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -152.11 -46.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.843 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.8 m-85 -96.76 136.55 21.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.88 24.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.663 HG22 ' CD1' ' A' ' 29' ' ' PHE . 59.0 t -87.68 109.46 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 21' ' ' TYR . 19.2 m -88.05 -18.75 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -175.62 -177.01 44.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -127.16 126.45 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 28' ' ' VAL . 71.6 t -58.14 150.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 -49.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . 0.555 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.5 Cg_endo -74.99 -160.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 6.4 mtt -73.06 -33.21 65.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.3 mt-10 53.51 107.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.786 ' HB2' HG21 ' A' ' 28' ' ' VAL . 72.7 m-85 -108.45 130.69 55.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.7 p -74.83 154.0 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -30.74 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -69.45 -47.32 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.534 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.6 -40.88 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.107 HD13 HG22 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -61.72 -29.33 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -77.97 4.58 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 12.1 mt-30 -100.11 12.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 42.6 m-85 -137.04 41.13 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.602 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -84.47 5.66 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 83.45 101.3 0.54 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 177.94 -34.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.544 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -65.3 -171.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.09 -45.43 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -104.22 -47.23 4.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -37.88 122.94 1.01 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.4 Cg_endo -74.94 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.713 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.2 mp -123.75 119.08 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.0 m-30 -124.05 132.39 53.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.96 HG11 ' OH ' ' A' ' 38' ' ' TYR . 5.1 t -112.5 149.88 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -107.72 134.73 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.71 HG22 ' HD3' ' A' ' 25' ' ' LYS . 8.3 mt -141.71 110.35 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.713 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.9 OUTLIER 64.99 15.25 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.64 17.22 29.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.854 HH11 HG11 ' A' ' 94' ' ' VAL . 2.5 ttm-85 -116.42 126.58 53.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.107 HG22 HD13 ' A' ' 8' ' ' LEU . 42.3 t -82.58 122.25 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CD1' HG22 ' A' ' 94' ' ' VAL . 30.5 m-85 -115.16 158.43 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.621 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -104.01 124.88 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.102 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.1 m -127.63 6.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.551 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.93 -24.49 3.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.0 p -56.4 -9.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.49 47.29 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -50.4 -22.83 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.69 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 73.1 m-85 -108.22 -44.12 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.102 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -91.97 -38.04 12.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.83 168.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -35.89 124.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.961 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.05 87.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.5 -176.87 25.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -41.84 -49.9 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.0 m-85 -104.57 59.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -74.72 -31.9 61.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -23.21 32.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.759 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 13.4 m-30 -84.91 -32.82 22.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.602 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -53.19 123.91 13.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 60.91 30.43 73.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 8.4 mttt -157.6 149.91 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.772 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 22.2 t0 -87.15 111.24 20.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.759 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -100.59 52.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.516 ' HA ' HD23 ' A' ' 81' ' ' LEU . 5.9 p -73.39 -53.43 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 2.4 mtp180 -68.2 -44.61 75.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' CA ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.76 -36.72 77.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 52' ' ' ALA . 16.5 mt -70.71 -43.07 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -54.23 -75.22 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -63.44 -21.83 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 2.1 mtp 68.89 50.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -28.89 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 47' ' ' PHE . 13.1 mttt 66.63 19.22 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.64 ' O ' HG23 ' A' ' 66' ' ' VAL . 4.8 m120 -64.52 146.93 53.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.47 -22.44 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.26 -23.22 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' HB3' ' CA ' ' A' ' 55' ' ' ALA . 18.1 m-20 -75.22 -9.0 58.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 62' ' ' ASN . 2.9 t -83.76 89.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 4.1 t -113.82 131.45 23.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.772 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 10.66 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.86 143.2 24.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -89.43 36.19 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.02 53.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.12 -26.14 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -41.47 110.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.867 HG23 ' OE2' ' A' ' 77' ' ' GLU . 28.5 p -76.93 -171.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.37 -41.36 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 8.7 ptpt -53.02 -52.01 59.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.867 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.8 pm0 -74.99 -41.09 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -55.79 -49.2 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -51.44 -50.01 60.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.896 HG22 ' CD1' ' A' ' 84' ' ' TRP . 72.7 m -79.39 -46.84 16.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.808 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -57.9 -56.4 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' ILE . 7.2 t-20 -51.67 -42.93 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -31.73 64.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.896 ' CD1' HG22 ' A' ' 80' ' ' THR . 7.3 m95 -60.13 -32.73 71.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -62.17 -46.36 89.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.62 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -64.54 -36.7 85.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.5 mttm -66.26 -46.84 75.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.7 m-85 -79.56 -36.85 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 85' ' ' GLU . 7.8 tp10 -69.83 -38.26 76.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.59 31.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 39.5 mttt -153.89 -60.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.851 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.9 m-85 -87.13 138.37 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.94 139.74 24.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.854 HG11 HH11 ' A' ' 27' ' ' ARG . 74.8 t -93.28 109.44 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.7 m -89.5 -11.0 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 171.23 177.51 41.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.165 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.84 130.31 52.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.245 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.577 HG23 HG23 ' A' ' 28' ' ' VAL . 39.1 t -50.79 133.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.02 -83.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . 0.55 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.2 Cg_endo -75.06 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' GLU . 54.9 mtp -71.07 -35.41 71.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' MET . 7.5 mt-10 55.36 110.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.809 ' HB2' HG21 ' A' ' 28' ' ' VAL . 26.7 m-85 -108.91 129.79 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -77.83 163.71 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.8 -35.85 61.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -66.57 -46.05 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.691 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.07 -31.12 64.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 HG22 ' A' ' 28' ' ' VAL . 3.3 tp -82.73 -24.23 33.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 81.6 p -87.45 22.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.603 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 5.6 pt20 -133.02 15.9 4.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.691 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 51.0 m-85 -138.93 60.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 13.5 p30 -113.63 17.76 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.12 47.57 23.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -101.77 -21.7 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -106.67 -159.06 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -104.47 -52.12 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' LYS . 15.2 m -84.16 -47.39 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -37.19 121.73 0.86 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.649 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.99 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.677 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.9 mp -112.52 121.5 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.469 ' HB3' HG13 ' A' ' 28' ' ' VAL . 21.9 m-30 -128.53 129.17 45.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.868 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 12.4 t -109.68 155.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -111.67 143.58 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 56' ' ' LEU . 2.9 mt -149.24 111.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.998 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.5 OUTLIER 60.2 17.51 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.04 16.47 32.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -114.41 129.26 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 3' ' ' PHE . 55.6 t -86.49 122.12 38.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.609 ' CD1' HG22 ' A' ' 94' ' ' VAL . 41.1 m-85 -116.76 149.67 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.635 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -96.29 126.16 41.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.996 HG21 ' CD2' ' A' ' 38' ' ' TYR . 15.4 m -127.38 3.8 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.545 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -49.41 -25.77 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -8.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.01 47.7 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.1 pttt -49.5 -23.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 t -60.36 -17.83 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' O ' ' N ' ' A' ' 43' ' ' ASP . 32.0 m-85 -107.41 -43.76 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.996 ' CD2' HG21 ' A' ' 31' ' ' VAL . 1.5 m-85 -92.9 -38.08 11.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.92 177.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLY . 8.1 t -39.31 140.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 0.73 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.5 71.12 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -132.31 175.12 20.03 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 37' ' ' PHE . 4.4 m-20 -43.38 -50.28 6.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.0 m-85 -102.47 61.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t -74.55 -33.05 62.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.1 -30.32 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.5 m-30 -77.78 -32.78 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -53.41 123.27 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 61.02 33.34 83.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.773 ' HB3' HG11 ' A' ' 66' ' ' VAL . 33.0 mtmt -161.57 152.01 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.815 ' O ' HG13 ' A' ' 66' ' ' VAL . 43.7 t0 -88.98 107.47 19.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.68 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -100.94 59.98 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -74.95 -54.05 7.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 5.4 mtm180 -61.37 -49.68 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.84 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.39 -34.18 72.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 52' ' ' ALA . 17.1 mt -73.14 -42.74 62.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -59.88 -75.19 0.29 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -61.0 -20.81 62.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.8 OUTLIER 67.31 54.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -112.64 -44.09 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.84 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 10.7 mttp 86.83 18.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.465 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.7 m120 -57.5 147.51 26.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.96 -24.43 55.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -89.94 -21.46 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.551 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 2.5 m-20 -65.27 -43.67 90.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 51' ' ' ASP . 58.5 t -35.64 109.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -121.39 109.62 34.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.714 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.05 7.79 2.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.65 156.31 40.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 25' ' ' LYS . 20.0 mt -79.94 49.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.06 70.62 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.95 -11.87 2.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 54' ' ' ARG . 4.0 mm? -67.46 100.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.686 HG23 ' OE2' ' A' ' 77' ' ' GLU . 28.9 p -78.52 -175.46 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.491 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.7 OUTLIER -67.6 -42.02 83.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 2.7 ptpt -53.04 -52.61 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.759 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.8 pm0 -75.13 -41.24 58.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -52.8 -47.88 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -48.08 -53.83 15.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.644 HG22 ' CD1' ' A' ' 84' ' ' TRP . 16.8 m -80.35 -46.7 15.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.998 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -56.47 -57.94 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.641 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.5 t-20 -51.53 -43.55 62.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.57 -30.36 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.644 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -61.06 -42.27 98.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.3 OUTLIER -59.74 -47.33 86.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.92 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -74.0 -43.97 56.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.9 OUTLIER -71.09 -43.25 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' CB ' ' HE1' ' A' ' 29' ' ' PHE . 1.4 pp20? -71.79 -20.18 61.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.84 -15.4 34.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.06 -68.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.884 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.6 m-85 -69.69 138.78 88.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 135.22 18.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.609 HG22 ' CD1' ' A' ' 29' ' ' PHE . 39.0 t -91.36 109.12 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.68 -14.32 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.16 -177.77 42.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.577 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -122.75 134.32 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' GLY . 18.7 t -49.39 143.62 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -90.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -163.58 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.6 mtm -67.08 -31.96 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.6 mt-10 54.33 108.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.716 ' HB2' HG21 ' A' ' 28' ' ' VAL . 96.2 m-85 -108.84 129.15 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.4 p -77.98 157.48 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.433 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.18 -29.4 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -71.84 -47.09 55.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.612 ' NE2' HE22 ' A' ' 10' ' ' GLN . 1.1 mm-40 -73.42 -37.95 65.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.814 HD13 HG22 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -65.31 -28.67 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -77.77 2.4 17.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.612 HE22 ' NE2' ' A' ' 7' ' ' GLN . 6.5 mt-30 -99.93 2.51 43.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 49.4 m-85 -129.96 58.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.509 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -113.43 11.29 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.67 45.76 6.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.34 -18.64 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -110.66 -167.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -71.98 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.0 m -65.41 -48.39 72.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -39.62 122.21 1.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.615 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -74.99 -168.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.1 mp -122.11 121.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 19' ' ' PRO . 22.3 m-30 -126.28 131.97 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.87 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 7.7 t -110.01 151.49 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -112.49 136.4 52.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.585 HG23 HD21 ' A' ' 81' ' ' LEU . 54.7 mt -144.81 111.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.9 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.4 OUTLIER 64.23 15.21 9.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.09 33.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.661 HH11 HG11 ' A' ' 94' ' ' VAL . 4.2 ttm-85 -112.64 129.16 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.814 HG22 HD13 ' A' ' 8' ' ' LEU . 24.5 t -87.23 123.18 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 94' ' ' VAL . 40.2 m-85 -119.08 150.34 40.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.63 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.53 127.24 43.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.061 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -130.86 7.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.577 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.08 -24.33 3.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 33' ' ' THR . 29.4 p -55.66 -8.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -155.29 48.65 0.49 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 10.1 pttt -49.88 -24.21 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -57.3 -17.96 14.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.4 m-85 -108.64 -42.87 4.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.061 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -95.78 -38.36 10.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -54.78 -116.83 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -57.59 -154.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 66.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -89.9 -137.62 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -101.87 -27.41 13.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.847 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.4 m-85 -110.38 44.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.9 74.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.59 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.96 -27.94 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 6.2 m-30 -80.53 -33.25 36.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 12' ' ' ASN . . . -50.54 133.21 25.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.76 37.05 20.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.675 ' HB3' HG11 ' A' ' 66' ' ' VAL . 17.2 mttp -160.21 153.41 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.817 ' O ' HG13 ' A' ' 66' ' ' VAL . 28.3 t0 -90.27 95.86 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.675 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -89.32 62.9 6.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.484 ' C ' HD11 ' A' ' 73' ' ' LEU . 2.6 p -74.46 -56.29 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.584 ' HG2' HD22 ' A' ' 73' ' ' LEU . 49.6 mtp180 -62.06 -47.27 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -58.43 -36.46 73.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.604 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 19.1 mt -72.01 -44.55 63.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.52 -78.5 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -18.75 21.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.423 ' HG2' HG21 ' A' ' 80' ' ' THR . 9.6 mtp 73.91 38.09 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -107.13 -172.66 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.31 25.03 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.507 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 2.8 m120 -62.56 139.21 58.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.77 -21.93 54.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.81 -20.86 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 2.0 m-20 -62.17 -47.41 84.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 51' ' ' ASP . 71.6 t -45.67 113.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.446 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -127.8 112.15 20.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.668 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.02 7.84 2.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -141.39 119.05 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 ' CB ' ' A' ' 25' ' ' LYS . 58.0 mt -36.98 -48.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.3 mt-10 -35.7 94.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 133.94 -33.74 2.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.044 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.619 HD13 ' OE1' ' A' ' 77' ' ' GLU . 2.3 mm? -63.0 113.25 2.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.486 HG23 ' OE2' ' A' ' 77' ' ' GLU . 43.8 p -82.94 -176.62 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.494 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -68.38 -40.62 81.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.9 ptpt -53.83 -49.08 69.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.1 pt-20 -78.67 -41.6 30.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -53.54 -46.92 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 2.2 m-20 -50.52 -50.78 52.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.609 HG22 ' CD1' ' A' ' 84' ' ' TRP . 19.5 m -81.24 -47.29 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.9 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -57.76 -59.62 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.625 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.6 t-20 -49.2 -40.33 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.68 -31.4 61.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.5 m95 -59.18 -41.05 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.981 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.2 OUTLIER -60.28 -46.09 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -65.05 -34.87 79.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.385 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -74.12 -42.17 60.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.551 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.4 m-85 -73.3 -42.53 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -71.96 -20.09 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.23 -10.93 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.36 -68.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.818 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.2 m-85 -67.43 138.5 94.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.98 136.93 21.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.661 HG11 HH11 ' A' ' 27' ' ' ARG . 21.5 t -91.55 107.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 3' ' ' PHE . 29.5 m -83.43 -11.13 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 162.49 -172.91 38.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 1.5 ppt_? -120.59 141.32 50.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.619 HG21 ' CB ' ' A' ' 23' ' ' ALA . 10.0 t -58.23 127.86 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -111.25 -88.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLU . 38.7 mtm -64.58 -35.34 80.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 1.3 mt-10 57.14 114.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.746 ' HB2' HG21 ' A' ' 28' ' ' VAL . 72.8 m-85 -108.95 129.2 55.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -77.34 158.67 30.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.78 -33.57 49.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.58 -44.97 63.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -72.03 -42.91 65.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.572 HD13 HG22 ' A' ' 28' ' ' VAL . 2.6 tp -58.46 -37.7 76.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -65.75 -10.84 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 7' ' ' GLN . 9.3 mm100 -74.94 -19.9 59.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.609 ' CE2' ' HG3' ' A' ' 18' ' ' LYS . 9.5 m-85 -121.43 67.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.67 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.27 13.27 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.48 100.14 0.55 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.68 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 3.6 m-20 -76.95 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -96.24 -74.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -68.66 -45.48 71.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.609 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -44.41 119.96 3.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 21' ' ' TYR . 18.3 Cg_endo -74.99 -164.1 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.892 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.5 mp -125.96 124.11 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.544 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.7 m-30 -124.63 130.49 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.7 t -108.98 153.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -112.73 136.84 51.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.48 ' CD1' HD13 ' A' ' 56' ' ' LEU . 23.9 mt -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.836 ' HD3' HD11 ' A' ' 81' ' ' LEU . 11.1 mmmm 66.78 14.87 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.43 14.71 43.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -112.73 131.39 55.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.746 HG21 ' HB2' ' A' ' 3' ' ' PHE . 12.5 t -87.15 122.75 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CD1' HG22 ' A' ' 94' ' ' VAL . 40.5 m-85 -118.26 144.98 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.654 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -90.25 126.56 35.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.887 HG12 ' CD2' ' A' ' 92' ' ' TYR . 23.2 m -128.37 4.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.55 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.24 -22.93 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.8 p -54.8 -8.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -151.2 50.06 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLY . 14.6 pttt -49.21 -24.31 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.2 m-85 -107.91 -42.39 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.892 ' HB3' HG21 ' A' ' 20' ' ' ILE . 5.0 m-85 -92.88 -37.95 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -42.68 169.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.1 t -33.94 123.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.93 87.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -148.92 -176.02 21.89 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.38 -51.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.689 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 1.3 m-85 -110.71 63.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -28.04 61.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.74 -31.04 24.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.703 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.9 m-30 -75.3 -33.19 61.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -49.37 130.22 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 48.12 38.15 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.6 OUTLIER -163.09 153.06 15.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.8 ' O ' HG13 ' A' ' 66' ' ' VAL . 61.4 t0 -86.52 116.98 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.703 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -114.7 46.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 p -72.27 -41.17 67.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.565 ' HA ' HD21 ' A' ' 73' ' ' LEU . 5.2 mtm180 -66.78 -53.71 30.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 65' ' ' ASP . . . -60.83 -34.61 74.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 52' ' ' ALA . 9.6 mt -61.88 -43.56 98.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.6 -68.93 1.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -60.54 -25.15 65.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER 65.69 50.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.948 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -113.49 -23.57 9.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 63.55 12.88 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.479 ' ND2' ' OE2' ' A' ' 64' ' ' GLU . 1.5 m120 -50.33 148.58 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -24.74 59.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.36 -20.93 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -67.99 -43.72 78.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 51' ' ' ASP . 54.7 t -52.45 121.5 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.486 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 1.5 t -152.97 134.25 8.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.676 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.04 6.99 3.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.792 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.609 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -154.93 87.52 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.972 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.953 HD12 ' N ' ' A' ' 71' ' ' GLU . 3.6 pp -22.48 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.953 ' N ' HD12 ' A' ' 70' ' ' LEU . 9.3 mm-40 26.96 41.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 158.08 39.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.725 HD13 ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -93.07 107.62 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.846 HG23 ' OE2' ' A' ' 77' ' ' GLU . 24.8 p -74.15 -173.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.543 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -68.9 -43.16 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -52.97 -51.77 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.846 ' OE2' HG23 ' A' ' 74' ' ' THR . 2.3 pm0 -75.69 -38.63 58.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.549 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -52.62 -30.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -82.45 -51.88 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.687 HG22 ' CD1' ' A' ' 84' ' ' TRP . 32.1 m -69.97 -47.31 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.836 HD11 ' HD3' ' A' ' 25' ' ' LYS . 1.5 tm? -57.12 -54.54 45.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.4 m-80 -50.45 -59.46 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -58.23 -33.27 69.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.687 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -59.39 -48.67 80.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -62.19 -47.5 84.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.0 mttm -73.39 -43.68 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.515 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.2 m-85 -70.43 -43.52 69.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.25 -18.77 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.59 -16.02 24.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -68.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.1 m-85 -69.6 138.65 88.58 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.07 138.84 23.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.967 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.594 HG22 ' CD1' ' A' ' 29' ' ' PHE . 34.7 t -91.36 109.57 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 28' ' ' VAL . 22.1 m -88.73 -5.8 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 163.86 -175.02 40.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 2.4 ppt_? -126.07 135.86 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.636 HG23 HG23 ' A' ' 28' ' ' VAL . 54.4 t -58.28 124.84 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -107.93 -53.22 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.787 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -65.26 -34.01 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 2.3 mt-10 58.04 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.707 ' HB2' HG21 ' A' ' 28' ' ' VAL . 67.6 m-85 -109.45 130.23 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.2 p -74.87 155.65 37.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 110.368 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.82 53.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.61 -46.97 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -35.34 66.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.794 HD13 HG22 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -67.44 -32.42 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -72.42 -0.56 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.448 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.1 mt-30 -95.26 14.83 20.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 28.8 m-85 -137.18 38.59 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.697 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -88.97 15.81 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.26 108.33 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -179.1 -40.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -75.7 -159.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.02 -55.93 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.0 m -84.02 -48.22 10.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 1.6 mmtm -37.21 119.64 0.84 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.99 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.1 mp -123.1 116.2 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.578 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.1 m-30 -126.94 133.58 50.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.904 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 8.4 t -112.88 149.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -108.46 134.25 51.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.614 HG22 ' HD3' ' A' ' 25' ' ' LYS . 12.7 mt -141.17 110.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.637 ' HG2' HD11 ' A' ' 81' ' ' LEU . 0.8 OUTLIER 65.23 16.16 10.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.95 14.56 39.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.76 HH11 HG11 ' A' ' 94' ' ' VAL . 2.4 ttm-85 -113.55 128.41 56.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.794 HG22 HD13 ' A' ' 8' ' ' LEU . 40.7 t -84.92 122.65 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 94' ' ' VAL . 40.9 m-85 -118.19 153.16 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.62 127.57 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.104 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.8 m -128.46 7.55 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.587 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.15 -25.9 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -8.96 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.58 48.07 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.13 -23.46 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.88 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 43' ' ' ASP . 35.0 m-85 -107.94 -44.36 4.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.104 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -92.37 -38.15 12.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.94 172.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -36.02 127.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 41.42 88.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.23 -178.5 26.98 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.561 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -41.24 -51.48 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.835 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -103.11 59.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -33.31 62.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.12 -23.31 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.693 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.1 m-30 -84.8 -33.4 22.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 12' ' ' ASN . . . -51.16 126.59 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 57.18 34.23 66.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.767 ' HB3' HG11 ' A' ' 66' ' ' VAL . 8.1 mttm -162.17 151.06 15.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.85 ' O ' HG13 ' A' ' 66' ' ' VAL . 25.1 t0 -86.47 111.64 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.693 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -104.66 52.3 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.534 ' HA ' HD23 ' A' ' 81' ' ' LEU . 52.2 m -75.44 -46.99 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.631 ' HG2' HD11 ' A' ' 73' ' ' LEU . 6.8 mtm180 -67.48 -49.32 64.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.71 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.42 -34.43 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 52' ' ' ALA . 19.5 mt -70.99 -41.06 71.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -59.02 -77.74 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.513 ' CE ' ' CD ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.8 53.26 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -112.31 -18.46 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.71 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 9.1 ptpt 51.27 23.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 64' ' ' GLU . 2.6 t-20 -73.25 131.8 42.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -16.46 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -89.6 -22.13 22.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.1 m-20 -76.65 -37.03 56.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 51' ' ' ASP . 45.4 t -39.97 124.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.542 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 9.4 p -146.23 121.07 5.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.709 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 8.91 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.08 140.99 20.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.565 HD22 ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -87.37 41.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.11 49.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.82 -24.87 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.631 HD11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -41.96 117.08 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.462 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 19.4 p -79.12 -176.76 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.521 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -69.45 -40.34 77.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.98 -48.0 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.811 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pt-20 -80.08 -42.32 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -52.45 -48.48 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -54.58 -47.02 73.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.607 HG22 ' CD1' ' A' ' 84' ' ' TRP . 50.1 m -79.99 -48.28 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.811 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -58.76 -58.16 9.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.667 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.0 t-20 -51.84 -39.83 59.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -35.07 63.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -59.22 -32.59 70.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.986 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 5.7 tt0 -62.77 -50.67 70.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 m -60.6 -33.41 72.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 21.2 mttt -73.81 -40.89 63.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.05 -42.79 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.611 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -68.5 -34.24 75.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -89.32 29.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 15.7 mttt -154.03 -57.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.849 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.4 m-85 -85.83 138.58 35.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.97 136.81 20.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.76 HG11 HH11 ' A' ' 27' ' ' ARG . 20.4 t -89.03 110.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.1 m -90.64 -9.16 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 167.79 -177.63 42.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.563 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.89 133.62 53.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.619 HG21 ' CB ' ' A' ' 23' ' ' ALA . 37.3 t -55.58 122.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -104.94 -52.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt -66.57 -33.8 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.2 mt-10 58.99 116.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.026 ' HB2' HG21 ' A' ' 28' ' ' VAL . 57.5 m-85 -111.53 130.21 55.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.9 p -77.16 154.99 32.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.406 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.66 47.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -71.59 -46.78 58.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -72.96 -38.5 66.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -29.25 70.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -77.48 3.48 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 8.7 mt-30 -100.01 10.89 40.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 33.7 m-85 -139.08 46.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.575 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 1.3 p-10 -92.05 10.85 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.45 100.86 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.87 -36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -73.04 -170.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.33 -65.84 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' LYS . 57.8 m -80.57 -48.27 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -37.43 121.44 0.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 -165.47 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.4 mp -123.55 117.56 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.652 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 22.6 m-30 -126.51 139.34 53.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.875 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 57.6 t -117.99 170.85 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.583 ' N ' HG12 ' A' ' 22' ' ' VAL . . . -128.11 138.18 52.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.699 HD12 ' CD2' ' A' ' 88' ' ' PHE . 11.2 mt -151.71 114.91 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.704 ' HD3' HD11 ' A' ' 81' ' ' LEU . 0.4 OUTLIER 69.32 9.98 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.25 14.17 42.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -113.88 124.56 52.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.026 HG21 ' HB2' ' A' ' 3' ' ' PHE . 77.0 t -75.52 120.43 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.799 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 50.5 m-85 -117.96 145.65 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.652 ' OD1' ' CD1' ' A' ' 21' ' ' TYR . 4.1 m-20 -93.87 137.43 33.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.037 HG21 ' CD2' ' A' ' 38' ' ' TYR . 19.1 m -134.38 8.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.74 -26.9 10.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.3 p -56.57 -9.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' THR . . . -151.73 45.43 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -50.37 -23.15 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -18.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 12.6 m-85 -107.66 -45.92 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.037 ' CD2' HG21 ' A' ' 31' ' ' VAL . 1.1 m-85 -89.68 -38.42 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.7 172.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLY . 7.0 t -37.72 133.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.79 81.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.92 179.05 24.16 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -40.13 -51.55 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.768 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.2 m-85 -105.45 60.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -33.22 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.67 -30.82 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 5.3 m-30 -75.55 -33.83 60.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -50.07 126.31 14.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 62.1 32.7 83.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.676 ' HB3' HG21 ' A' ' 66' ' ' VAL . 9.5 mtmm -158.84 153.42 24.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.691 ' C ' HG23 ' A' ' 66' ' ' VAL . 49.2 t0 -88.16 83.75 6.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -78.39 54.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -74.64 -49.02 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.2 mtm180 -64.69 -45.15 87.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -59.71 -31.92 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.684 ' CD1' HD11 ' A' ' 24' ' ' ILE . 12.0 mt -71.27 -46.25 61.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG21 ' A' ' 80' ' ' THR . . . -55.24 -77.97 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' CE ' ' OE2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.1 -17.04 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 0.734 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 mtp 71.99 38.18 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.81 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -108.6 144.57 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 110.0 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 46' ' ' MET . 12.8 mtmt -91.12 19.77 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.49 132.26 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -75.48 -19.25 59.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -21.72 22.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.1 m-20 -66.99 -48.05 69.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.691 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -49.7 124.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.463 ' OG ' ' CD ' ' A' ' 54' ' ' ARG . 52.6 p -144.76 132.13 10.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.652 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.95 7.18 2.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.572 1.827 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -148.85 108.72 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.722 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.676 ' C ' ' O ' ' A' ' 70' ' ' LEU . 13.2 mm-40 -6.81 81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 134.17 -37.16 2.0 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -42.62 112.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' OE2' ' A' ' 77' ' ' GLU . 7.8 p -74.09 -170.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.46 -43.39 69.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.0 -51.29 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.764 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pm0 -75.16 -42.22 56.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.504 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -51.35 -28.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -84.71 -45.83 12.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 57' ' ' GLY . 21.5 m -75.03 -46.96 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.19 -53.63 55.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.571 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.6 m-80 -47.76 -59.7 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -35.83 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.614 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.7 OUTLIER -59.07 -47.1 86.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 108.005 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.69 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -58.43 -48.27 81.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.2 m -63.61 -32.91 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 4.9 mtpt -76.67 -44.33 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.699 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -71.03 -43.12 68.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.799 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.89 -18.8 62.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -101.07 -13.83 18.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' LYS . 2.7 mmtt -105.39 -57.17 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.762 ' CG ' HG12 ' A' ' 31' ' ' VAL . 13.4 m-85 -87.81 142.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 132.07 15.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.774 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -94.91 107.6 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG23 ' CE1' ' A' ' 3' ' ' PHE . 19.2 m -81.79 2.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.449 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 156.39 177.69 29.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 2.0 ppt_? -113.9 140.04 48.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 3.0 t -49.71 165.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.536 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.2 -76.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.9 mtp -67.12 -34.47 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.569 ' OE1' HG11 ' A' ' 99' ' ' VAL . 46.6 mt-10 54.93 117.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.725 ' HB2' HG21 ' A' ' 28' ' ' VAL . 96.1 m-85 -113.12 129.88 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 p -81.38 158.98 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.42 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 1.3 mt-10 -72.91 -47.93 41.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -73.78 -42.66 60.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD13 HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -58.06 -31.48 67.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -73.03 -7.01 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 1.2 mt-30 -102.76 14.01 33.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.597 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 59.3 m-85 -136.76 60.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.1 p30 -112.4 8.55 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 70.08 98.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 175.83 -34.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -152.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.38 -98.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.07 34.01 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.61 129.54 73.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.597 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.0 165.34 31.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.868 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.6 mp -102.65 124.47 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HB3' HG13 ' A' ' 28' ' ' VAL . 21.5 m-85 -128.73 130.1 46.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.792 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 17.7 t -105.98 153.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -117.87 136.16 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 88' ' ' PHE . 2.1 mt -151.97 111.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 1.006 ' HD3' HD11 ' A' ' 81' ' ' LEU . 2.8 mmmp? 72.99 10.64 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 96.64 15.81 38.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.767 HH11 HG11 ' A' ' 94' ' ' VAL . 1.5 ttm-85 -113.49 131.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 24.5 t -87.96 123.84 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 46.8 m-85 -118.06 149.36 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.66 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.83 124.81 39.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.895 HG12 ' CE2' ' A' ' 92' ' ' TYR . 25.5 m -127.64 4.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.531 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.32 -22.78 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 33' ' ' THR . 29.8 p -54.71 -9.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -148.73 49.41 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.2 pttt -49.59 -24.44 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -18.42 61.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 67.1 m-85 -107.78 -38.97 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.868 ' HB3' HG21 ' A' ' 20' ' ' ILE . 4.1 m-85 -95.04 -38.87 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.56 171.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 t -34.24 120.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.82 94.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -155.82 -175.3 26.67 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -39.27 -51.44 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.675 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -111.81 65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -31.96 68.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -81.98 -32.54 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.966 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.751 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 4.3 m-30 -72.12 -34.22 68.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.93 123.25 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 50.68 40.58 41.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.806 ' HB3' HG11 ' A' ' 66' ' ' VAL . 4.0 mtmt -161.52 155.21 21.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.882 ' O ' HG13 ' A' ' 66' ' ' VAL . 38.0 t0 -88.26 111.36 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.751 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -99.74 63.91 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 m -75.17 -55.15 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.6 ' HG2' HD21 ' A' ' 73' ' ' LEU . 4.1 mmm180 -61.61 -46.08 91.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . . . -57.97 -46.73 84.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD23 ' HB3' ' A' ' 84' ' ' TRP . 3.7 mp -59.27 -50.95 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.628 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.17 -83.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -22.37 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.5 ' CG ' HG21 ' A' ' 80' ' ' THR . 11.3 mtp 74.78 36.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.04 -172.15 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.44 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -130.99 39.49 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -75.35 139.89 42.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -77.05 -22.49 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.45 -20.74 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.585 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.7 m-20 -59.2 -48.97 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 51' ' ' ASP . 52.7 t -34.31 105.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.425 ' HB3' ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -119.23 107.08 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.665 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.96 4.55 4.62 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 144.34 25.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.554 HD11 ' NZ ' ' A' ' 25' ' ' LYS . 59.3 mt -73.93 55.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 15.0 pt-20 -108.97 54.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.61 -20.37 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.74 HD13 ' OE1' ' A' ' 77' ' ' GLU . 2.4 mm? -54.15 107.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' OE2' ' A' ' 77' ' ' GLU . 20.9 p -77.58 -179.35 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -65.94 -41.94 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -52.91 -49.92 64.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.755 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.2 pt-20 -79.58 -40.8 28.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 74' ' ' THR . 1.0 OUTLIER -52.26 -29.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.63 -47.44 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.5 HG21 ' CG ' ' A' ' 59' ' ' MET . 27.5 m -76.76 -47.76 20.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.006 HD11 ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -55.3 -56.5 19.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.698 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.1 m120 -50.77 -37.26 41.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -35.57 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.722 ' HB3' HD23 ' A' ' 56' ' ' LEU . 16.8 m95 -59.88 -43.34 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -63.3 -45.05 93.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.62 -34.14 77.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.9 mttm -73.39 -42.9 61.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 24' ' ' ILE . 2.1 m-85 -68.91 -43.56 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.49 -19.36 61.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.27 -10.84 31.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -120.64 -72.76 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.895 ' CE2' HG12 ' A' ' 31' ' ' VAL . 13.2 m-85 -64.13 142.15 98.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.01 138.52 23.12 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.767 HG11 HH11 ' A' ' 27' ' ' ARG . 23.5 t -93.26 109.83 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.717 HG23 ' CE1' ' A' ' 3' ' ' PHE . 29.7 m -88.66 -8.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.27 -175.18 41.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -123.98 141.13 52.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.564 HG21 ' HB1' ' A' ' 23' ' ' ALA . 31.5 t -59.33 120.98 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG11 ' OE1' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -103.75 -58.9 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -161.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mtt -69.92 -34.47 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 8.3 mt-10 56.39 112.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.917 ' HB2' HG21 ' A' ' 28' ' ' VAL . 68.7 m-85 -108.26 128.54 54.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 p -80.39 159.63 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.11 -29.3 30.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.4 -46.97 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.735 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -73.65 -33.15 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 10.5 tp -77.91 -24.35 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 5.6 m -80.08 -0.89 37.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.562 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.3 pt20 -116.37 20.48 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 23.5 m-85 -136.81 52.09 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.9 p30 -109.92 12.18 23.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.29 104.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER 176.9 -51.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.401 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' N ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER -55.28 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -87.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -123.4 30.01 6.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -58.77 139.95 86.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.97 160.76 39.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 35' ' ' LYS . 1.3 mp -104.76 114.41 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' CE1' ' OD1' ' A' ' 30' ' ' ASP . 21.1 m-30 -130.69 134.92 47.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.867 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 13.6 t -113.75 167.75 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' ' CD2' ' A' ' 8' ' ' LEU . . . -124.8 141.47 52.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 88' ' ' PHE . 43.3 mt -152.48 113.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' CE ' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 68.13 14.3 9.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.34 12.0 55.03 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.63 HH11 HG11 ' A' ' 94' ' ' VAL . 2.5 ttm-85 -112.02 132.32 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.917 HG21 ' HB2' ' A' ' 3' ' ' PHE . 10.9 t -84.77 120.84 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.727 ' CD1' HG22 ' A' ' 94' ' ' VAL . 60.5 m-85 -117.49 141.82 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 4.2 m-20 -89.46 134.18 34.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.042 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.8 m -132.23 9.16 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -51.69 -26.31 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -9.28 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.94 46.18 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 39' ' ' GLY . 13.2 pttt -50.11 -24.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -18.14 31.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 43' ' ' ASP . 69.5 m-85 -107.21 -44.1 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.042 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -91.94 -39.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.46 173.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -38.53 128.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.046 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' ' OG ' ' A' ' 45' ' ' SER . . . 43.73 87.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -154.77 -179.25 29.85 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -40.12 -52.07 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.825 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.1 m-85 -105.95 61.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.402 ' OG ' ' HA2' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -74.1 -31.34 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -82.69 -31.75 28.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 47' ' ' PHE . 5.7 m-30 -77.13 -34.77 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -43.46 126.35 4.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.36 36.47 46.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.598 ' HB3' HG11 ' A' ' 66' ' ' VAL . 5.8 mtpt -158.7 149.35 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.633 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 13.8 t0 -88.01 116.74 26.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -106.55 64.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.505 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 69.3 m -74.9 -54.95 6.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -66.79 -41.68 87.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.858 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -58.82 -43.14 90.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.925 HD23 ' HB3' ' A' ' 84' ' ' TRP . 5.2 mp -63.53 -47.7 80.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.684 ' O ' HG21 ' A' ' 80' ' ' THR . . . -51.76 -77.83 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HZ1' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -61.47 -19.27 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 1.1 mtt 75.77 39.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.858 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -114.97 165.64 12.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CE ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -107.94 13.62 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.425 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 4.9 t-20 -50.67 137.24 20.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -68.64 -17.26 64.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -89.4 -21.12 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 1.7 m-20 -72.16 -26.46 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 50' ' ' LYS . 69.8 t -66.01 80.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 27.6 p -113.57 117.43 44.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.633 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.03 9.0 2.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 142.29 21.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.01 HD23 HD13 ' A' ' 73' ' ' LEU . 6.8 mt -70.63 53.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.6 51.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.33 -19.31 0.82 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.01 HD13 HD23 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -50.22 109.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.692 HG23 ' OE2' ' A' ' 77' ' ' GLU . 16.4 p -72.97 -169.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -70.64 -44.34 67.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.59 -50.45 60.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.794 ' O ' ' N ' ' A' ' 81' ' ' LEU . 2.3 pm0 -74.79 -44.36 49.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.28 -29.84 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -84.92 -46.93 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.684 HG21 ' O ' ' A' ' 57' ' ' GLY . 20.7 m -74.67 -47.6 30.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.794 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.11 -56.54 20.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.4 m-20 -51.18 -34.58 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -34.57 59.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.925 ' HB3' HD23 ' A' ' 56' ' ' LEU . 11.8 m95 -60.38 -31.08 70.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -66.21 -49.61 66.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.831 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.3 m -60.68 -31.73 70.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 6.3 mtpt -75.14 -40.62 59.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -81.24 -44.61 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.646 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . 5.6 tp10 -66.8 -33.77 76.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -96.14 34.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 90' ' ' ALA . 35.8 mttm -157.65 -56.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.736 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.0 m-85 -86.98 142.25 33.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 135.04 18.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 ' CD1' ' A' ' 29' ' ' PHE . 66.5 t -90.52 109.36 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.75 HG23 ' CE1' ' A' ' 3' ' ' PHE . 14.8 m -88.07 -13.09 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 173.06 -176.96 45.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.492 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -124.4 136.98 54.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.587 HG23 HG23 ' A' ' 28' ' ' VAL . 53.4 t -58.21 131.13 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.31 -50.19 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . 0.459 ' CG ' ' HA2' ' A' ' 96' ' ' GLY . 18.3 Cg_endo -75.02 -160.16 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.796 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 28.5 mmm -63.63 -35.73 81.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 3.3 mt-10 54.87 110.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 95' ' ' VAL . 48.0 m-85 -109.26 129.96 55.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.823 HG22 HG23 ' A' ' 99' ' ' VAL . 36.6 p -84.18 162.76 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -54.07 -28.24 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 14.7 mp0 -71.28 -47.88 54.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.741 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.93 -42.28 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.415 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 5.3 tp -66.46 -24.44 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 4.1 m -79.0 -6.46 56.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 10.2 pt20 -117.82 28.86 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 25.3 m-85 -145.37 55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.539 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 10.9 p30 -113.21 16.63 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.64 98.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -176.86 -50.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.46 ' N ' ' CG2' ' A' ' 14' ' ' THR . 0.1 OUTLIER -57.21 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -44.85 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 18.75 10.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -48.56 135.83 12.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.95 155.03 43.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.515 HD13 ' CB ' ' A' ' 35' ' ' LYS . 1.4 mp -97.96 117.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -130.14 129.7 43.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 20.2 t -106.53 174.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.641 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -133.89 143.64 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' CG2' ' HD3' ' A' ' 25' ' ' LYS . 3.3 mt -148.1 112.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.834 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.1 mtpp 59.94 17.58 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.42 16.16 35.49 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -112.01 126.63 55.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 95.9 t -83.57 121.54 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.647 ' CE1' HG22 ' A' ' 94' ' ' VAL . 41.2 m-85 -117.49 153.11 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.637 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.25 127.33 45.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.006 HG21 ' CD2' ' A' ' 38' ' ' TYR . 8.0 m -129.95 5.21 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.54 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.55 -25.2 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -56.5 -8.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.83 46.51 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.648 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -50.3 -24.01 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -18.67 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 43' ' ' ASP . 12.5 m-85 -108.21 -44.17 4.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.006 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.49 -39.88 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.83 176.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.5 p -37.51 133.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 36.2 87.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -153.17 178.0 30.48 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -38.82 -53.25 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.787 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.2 m-85 -103.28 59.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.55 -31.91 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.575 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.21 -26.74 33.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.711 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 4.8 m-30 -82.38 -35.02 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -46.55 127.28 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 55.77 32.85 59.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.686 ' HB3' HG21 ' A' ' 66' ' ' VAL . 6.5 mtpt -156.8 152.47 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.68 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 55.8 t0 -88.22 92.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.777 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -85.0 51.1 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -75.35 -47.97 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.958 ' HG2' HD21 ' A' ' 73' ' ' LEU . 8.3 mtm180 -67.04 -48.84 67.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.61 -31.58 69.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 52' ' ' ALA . 10.2 mt -73.7 -42.18 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 59' ' ' MET . . . -60.27 -77.67 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -58.51 -22.16 54.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtt 67.97 53.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -109.2 -15.68 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 60' ' ' SER . 1.3 pttt 52.89 20.73 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.537 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.0 m120 -70.66 139.77 51.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.25 -20.48 63.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.57 -20.62 22.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 16.6 m-20 -73.14 -46.86 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.01 116.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.459 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -132.99 129.73 21.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.68 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.03 6.08 3.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.62 126.48 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -86.85 50.6 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 16.6 pt-20 -88.71 51.27 2.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 165.67 -25.55 0.17 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.958 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -35.19 117.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.625 HG22 ' HG2' ' A' ' 77' ' ' GLU . 4.9 t -89.43 -179.98 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.558 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.23 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 1.3 ptpt -51.15 -51.53 52.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.802 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 pt-20 -80.02 -41.78 25.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -52.67 -47.27 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -49.88 -53.56 25.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.847 HG22 ' CD1' ' A' ' 84' ' ' TRP . 26.0 m -79.51 -46.68 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.834 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -56.7 -59.07 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.0 t-20 -51.83 -51.79 54.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.89 -32.8 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.847 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -58.72 -38.23 77.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -60.77 -45.11 95.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -65.97 -34.65 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -73.37 -42.67 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.5 OUTLIER -72.9 -42.95 63.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.02 -19.55 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -88.27 -16.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -65.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 31' ' ' VAL . 12.2 m-85 -73.02 137.95 79.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.0 134.61 18.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.647 HG22 ' CE1' ' A' ' 29' ' ' PHE . 21.5 t -85.7 108.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.88 HG23 ' CE1' ' A' ' 3' ' ' PHE . 32.5 m -85.54 -5.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 0' ' ' PRO . . . 151.93 -173.76 31.1 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -112.72 144.85 41.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' A' ' 23' ' ' ALA . 3.2 t -61.47 112.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.823 HG23 HG22 ' A' ' 4' ' ' THR . 11.1 m -107.91 103.89 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo -74.98 -159.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 2' ' ' GLU . 59.1 mmm -73.82 -34.57 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.5 mp0 53.9 109.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.86 ' HB2' HG21 ' A' ' 28' ' ' VAL . 94.4 m-85 -107.86 128.53 54.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.4 p -78.99 161.83 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.81 -33.63 56.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.11 -47.36 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.765 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -73.58 -33.83 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 28' ' ' VAL . 1.2 tp -77.42 -24.89 50.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 11.1 t -79.41 -1.11 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.2 pt20 -116.84 29.15 8.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.765 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.5 m-85 -145.79 58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.591 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 2.0 p30 -109.32 2.89 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 78.9 95.71 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -175.75 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.415 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' N ' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -55.03 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.49 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 m -121.62 34.75 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -68.48 132.38 91.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.02 159.39 41.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.728 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.1 mp -100.9 122.39 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' HB3' HG13 ' A' ' 28' ' ' VAL . 19.1 m-30 -128.79 135.64 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.88 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 t -113.72 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -114.53 134.37 55.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.655 HG22 ' HD3' ' A' ' 25' ' ' LYS . 7.1 mt -146.16 110.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HD3' HG22 ' A' ' 24' ' ' ILE . 4.5 mtpp 70.41 12.93 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.03 17.11 33.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 4.3 ttm180 -115.06 129.98 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 8' ' ' LEU . 25.0 t -84.93 122.57 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 94' ' ' VAL . 44.0 m-85 -116.33 151.67 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.647 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -98.51 124.13 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.085 HG21 ' CD2' ' A' ' 38' ' ' TYR . 10.3 m -126.03 7.34 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.576 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -52.81 -25.63 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -54.49 -9.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.4 46.13 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -49.73 -23.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -17.91 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 43' ' ' ASP . 98.3 m-85 -108.65 -42.62 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.085 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -93.09 -38.62 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.53 174.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' GLY . 28.9 t -37.87 129.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.15 83.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -146.64 -179.93 23.13 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -45.18 -50.45 11.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.8 m-85 -100.08 57.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -72.38 -32.1 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.99 -31.25 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 10.3 m-30 -77.14 -33.6 56.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -53.0 122.78 10.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.63 33.75 88.09 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB3' HG21 ' A' ' 66' ' ' VAL . 17.8 mttt -163.82 150.17 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 41.8 t0 -86.78 104.6 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.756 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -91.96 56.06 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.539 ' HB3' HD13 ' A' ' 81' ' ' LEU . 4.3 m -75.39 -56.87 4.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.65 ' HG2' HD21 ' A' ' 73' ' ' LEU . 1.8 mtm-85 -64.78 -42.29 95.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.54 -37.72 79.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.703 HD22 ' CD2' ' A' ' 84' ' ' TRP . 15.0 mt -73.68 -47.78 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.63 ' O ' HG21 ' A' ' 80' ' ' THR . . . -57.5 -69.95 1.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -62.92 -21.33 65.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 3.0 mtt 67.16 48.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.45 -28.47 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 20.8 mttt 61.83 28.33 17.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.515 ' O ' HG13 ' A' ' 66' ' ' VAL . 2.6 t-20 -87.28 133.31 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -17.39 62.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.0 -23.77 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 14.6 m-20 -76.23 -39.22 55.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -45.99 118.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.543 ' CB ' ' NH1' ' A' ' 54' ' ' ARG . 76.7 p -128.34 124.61 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.687 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 5.95 3.71 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 143.59 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.32 49.64 1.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.1 pt-20 -91.91 48.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' LEU . . . 163.96 -23.24 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 77' ' ' GLU . 1.7 mm? -36.43 99.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.563 HG23 ' OE2' ' A' ' 77' ' ' GLU . 21.7 p -66.91 -172.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.98 -43.02 72.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 9.3 ptpt -52.57 -51.18 61.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.788 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.6 pm0 -75.76 -39.59 56.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.551 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -52.23 -28.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -91.44 -42.25 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.63 HG21 ' O ' ' A' ' 57' ' ' GLY . 24.0 m -74.85 -42.66 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.788 ' N ' ' O ' ' A' ' 77' ' ' GLU . 1.1 tp -61.62 -51.33 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -46.91 -60.03 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.703 ' CD2' HD22 ' A' ' 56' ' ' LEU . 1.2 m95 -59.24 -43.34 92.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.51 -50.59 70.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.8 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.7 m -58.99 -30.83 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 9.8 mttm -75.35 -42.31 54.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' CZ ' ' HE2' ' A' ' 92' ' ' TYR . 1.1 m-85 -79.7 -42.75 24.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -67.99 -35.7 78.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.37 31.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 12.8 mttt -153.22 -52.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.85 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.3 m-85 -91.32 141.37 26.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.454 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.4 Cg_endo -74.96 134.09 17.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.623 HG22 ' CD1' ' A' ' 29' ' ' PHE . 64.3 t -90.3 109.95 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.801 HG23 ' CE1' ' A' ' 3' ' ' PHE . 28.2 m -90.42 -12.01 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.96 -179.05 43.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -124.72 131.8 53.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.561 HG21 ' CB ' ' A' ' 23' ' ' ALA . 36.0 t -50.56 150.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -58.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.3 mtt -65.49 -35.21 80.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 2.1 mt-10 58.44 119.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.766 ' HB2' HG21 ' A' ' 28' ' ' VAL . 24.3 m-85 -110.34 130.02 55.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.434 HG22 HG23 ' A' ' 99' ' ' VAL . 69.7 p -79.33 154.69 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.68 -31.71 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.17 -46.34 56.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -73.39 -38.27 65.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.87 HD11 ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -60.77 -43.51 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.853 ' N ' HD13 ' A' ' 8' ' ' LEU . 9.1 t -57.55 -14.06 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 7' ' ' GLN . 4.7 mt-30 -87.01 16.34 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 41.7 m-85 -147.19 56.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.524 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 2.0 p30 -120.81 21.16 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.32 83.41 0.78 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -136.86 -62.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -79.91 -161.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -99.17 -54.07 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.2 m -77.58 -40.2 43.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 2.0 mmtm -40.56 116.73 1.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.05 176.58 9.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.855 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.4 mp -116.45 125.07 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.557 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.1 m-30 -129.27 136.69 50.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.846 HG21 ' CE1' ' A' ' 38' ' ' TYR . 41.4 t -114.95 149.04 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -109.52 136.04 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.667 HD11 ' CD2' ' A' ' 88' ' ' PHE . 4.4 mt -150.1 112.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.751 ' HD3' HD11 ' A' ' 81' ' ' LEU . 11.1 mmmm 71.52 11.47 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 97.66 12.57 46.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 5.2 ttm180 -112.71 129.61 56.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.766 HG21 ' HB2' ' A' ' 3' ' ' PHE . 75.2 t -87.56 123.03 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 89' ' ' GLU . 51.9 m-85 -115.66 156.9 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.686 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -99.58 128.07 45.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 38' ' ' TYR . 16.3 m -131.3 7.71 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.57 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -51.44 -25.49 6.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.358 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -9.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -150.06 47.85 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -48.39 -24.04 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -61.82 -17.2 55.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 25.3 m-85 -108.12 -43.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.981 ' CD2' HG21 ' A' ' 31' ' ' VAL . 2.7 m-85 -97.6 -36.29 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -56.77 -116.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 p -58.66 -152.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' N ' ' OG ' ' A' ' 40' ' ' SER . . . -64.66 66.15 0.07 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.19 -135.31 4.97 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -105.67 -25.55 12.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.813 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.2 m-85 -111.49 37.6 2.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 p -58.8 -31.88 68.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.606 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.23 -30.3 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 4.8 m-30 -80.01 -32.88 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -43.04 115.35 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.87 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 61.95 37.79 94.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.803 ' HB3' HG21 ' A' ' 66' ' ' VAL . 10.8 mtpt -153.88 144.94 22.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.745 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 66.1 t0 -77.23 79.44 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.572 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . -75.69 58.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.7 m -73.05 -54.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.641 ' HG2' HD22 ' A' ' 73' ' ' LEU . 7.2 mtm180 -61.81 -47.1 86.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -59.73 -35.6 74.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.631 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 11.3 mt -71.61 -45.86 60.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -58.66 -78.8 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.09 -18.74 10.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 10.7 mtp 75.57 29.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.658 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -98.12 163.27 12.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.8 mtpm? -110.56 38.29 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -81.63 130.37 35.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -72.26 -20.3 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.48 -22.02 21.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' NE ' ' A' ' 54' ' ' ARG . 2.6 m-20 -64.95 -48.91 72.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -48.82 118.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.87 124.34 23.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.745 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 4.74 4.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.7 145.06 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.667 HD11 ' HE3' ' A' ' 25' ' ' LYS . 50.2 mt -77.28 51.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.87 51.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 74' ' ' THR . . . 163.94 -26.17 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD22 ' HG2' ' A' ' 54' ' ' ARG . 4.1 mm? -50.73 94.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 28.8 p -75.12 -177.48 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -66.06 -43.3 87.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 5.4 ptpt -52.6 -52.37 55.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.768 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -75.27 -40.66 58.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -54.05 -47.21 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 3.4 m-20 -50.4 -52.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.682 HG22 ' CD1' ' A' ' 84' ' ' TRP . 21.7 m -79.57 -46.55 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -57.42 -57.2 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.626 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.3 t-20 -52.8 -39.27 62.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 1.7 m-20 -75.62 -29.42 59.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.682 ' CD1' HG22 ' A' ' 80' ' ' THR . 2.6 m95 -60.17 -42.47 95.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.4 OUTLIER -60.9 -45.74 93.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -65.45 -35.17 80.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -73.87 -43.06 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.667 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.8 m-85 -71.66 -42.76 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.88 -19.7 61.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -94.39 -14.43 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -114.84 -70.39 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.898 ' CD2' HG12 ' A' ' 31' ' ' VAL . 10.0 m-85 -67.93 142.13 95.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HG2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -74.99 137.6 21.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 29' ' ' PHE . 39.9 t -88.42 108.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG11 ' CE1' ' A' ' 21' ' ' TYR . 27.5 m -85.78 -9.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 159.72 -179.98 34.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.684 ' HG3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -117.24 134.29 54.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.352 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.556 HG21 ' HB1' ' A' ' 23' ' ' ALA . 7.0 t -46.6 163.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -149.48 -88.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.431 ' H ' HG23 ' A' ' 99' ' ' VAL . 58.2 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.555 1.818 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.9 mtm -69.23 -36.33 77.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 12.9 mt-10 59.45 122.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.812 ' CE1' HG23 ' A' ' 95' ' ' VAL . 59.4 m-85 -109.74 128.9 55.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.1 p -78.24 155.44 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -52.14 -27.19 13.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.59 -48.05 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.715 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -73.77 -37.61 64.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' HA2' ' A' ' 49' ' ' GLY . 1.4 tp -72.55 -26.01 61.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 26.9 p -76.86 -5.25 47.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 11.7 pt20 -117.07 16.46 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.725 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 20.4 m-85 -131.21 64.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 6.7 p30 -123.92 13.15 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.29 98.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.07 -44.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.78 -158.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.32 -79.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 28.52 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.017 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' HD3' ' HD2' ' A' ' 19' ' ' PRO . 2.7 mmtm -69.27 131.51 90.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.725 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -75.0 162.5 37.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -107.17 110.41 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 17.5 m-85 -129.79 136.01 49.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.021 HG11 ' CZ ' ' A' ' 38' ' ' TYR . 1.8 m -116.06 149.22 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 27' ' ' ARG . . . -107.49 150.99 26.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.676 HD11 ' CD1' ' A' ' 56' ' ' LEU . 3.6 mt -154.84 109.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.976 ' CD ' HD11 ' A' ' 81' ' ' LEU . 2.5 mmmp? 65.12 18.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.8 13.66 49.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.585 HH11 HG11 ' A' ' 94' ' ' VAL . 1.2 ttm-85 -112.9 129.35 56.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.801 HG21 ' HB2' ' A' ' 3' ' ' PHE . 99.4 t -87.17 121.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 27' ' ' ARG . 39.4 m-85 -114.14 142.83 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.639 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -88.75 123.76 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.976 HG21 ' CG ' ' A' ' 38' ' ' TYR . 10.3 m -125.51 1.45 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.526 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -52.04 -25.37 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.96 -10.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.76 49.32 0.49 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.66 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.4 ptmt -49.14 -23.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -18.28 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 43' ' ' ASP . 87.0 m-85 -108.68 -43.58 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.021 ' CZ ' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -92.07 -39.01 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -45.99 175.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -36.51 130.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.81 87.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -151.02 -179.65 26.94 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -41.24 -51.62 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.851 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 2.6 m-85 -103.97 58.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -72.98 -28.66 62.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -84.3 -32.8 24.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.696 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 5.0 m-30 -75.53 -33.72 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -48.51 126.56 11.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 52.9 37.33 52.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 7.8 mtpt -161.29 150.53 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.723 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 29.2 t0 -80.81 102.79 10.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.675 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -91.56 52.5 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.88 -54.82 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.903 ' HG2' HD21 ' A' ' 73' ' ' LEU . 4.2 mtm180 -67.44 -40.32 85.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.795 ' HB2' ' OD1' ' A' ' 65' ' ' ASP . . . -59.11 -44.39 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.676 ' CD1' HD11 ' A' ' 24' ' ' ILE . 8.1 mt -71.73 -44.9 63.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -56.96 -74.15 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -60.92 -27.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 74.94 38.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -33.51 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 46' ' ' MET . 7.5 mttt 72.12 10.91 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.1 m120 -72.2 140.25 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.04 -19.42 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.03 -18.32 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.795 ' OD1' ' HB2' ' A' ' 55' ' ' ALA . 1.3 p30 -81.96 -34.36 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.577 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -48.87 118.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB3' ' CD ' ' A' ' 54' ' ' ARG . 8.0 p -123.67 122.69 26.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.723 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.07 9.7 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.571 1.827 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.22 138.93 14.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.853 HD23 ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -76.95 52.54 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.11 13.86 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.14 28.74 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.903 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -90.07 121.49 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.607 HG22 ' HG2' ' A' ' 77' ' ' GLU . 4.7 t -86.96 -178.65 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.568 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -65.94 -41.46 91.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -50.65 -50.8 53.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.892 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.3 pt-20 -80.99 -42.81 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.568 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER -47.85 -27.82 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -86.8 -45.51 10.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.983 HG22 ' CD1' ' A' ' 84' ' ' TRP . 95.5 m -77.81 -45.55 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.976 HD11 ' CD ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.57 -57.19 12.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.568 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.6 m-80 -53.12 -47.53 68.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -67.35 -34.43 77.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.983 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.6 m95 -63.76 -39.27 93.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 86' ' ' THR . 0.1 OUTLIER -62.06 -44.28 97.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -64.87 -33.47 76.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 2.1 mttt -73.43 -43.83 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 m-85 -72.43 -41.74 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -72.87 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -93.37 -14.33 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -65.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.786 ' CD2' HG12 ' A' ' 31' ' ' VAL . 14.4 m-85 -74.69 140.4 74.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.03 134.46 17.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.585 HG11 HH11 ' A' ' 27' ' ' ARG . 47.2 t -89.25 107.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.812 HG23 ' CE1' ' A' ' 3' ' ' PHE . 33.0 m -85.52 -13.06 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 163.0 -179.44 38.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.526 ' NH2' HG12 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -114.45 140.68 48.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 99' ' ' VAL . 2.5 t -47.58 165.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.527 ' N ' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -150.48 -84.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -168.84 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 2' ' ' GLU . 56.0 mmm -64.95 -27.33 68.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.9 mt-10 55.96 111.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.66 ' HB2' HG21 ' A' ' 28' ' ' VAL . 66.6 m-85 -107.89 129.37 55.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.499 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 64.7 p -76.52 146.29 38.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.51 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 1.4 mt-10 -71.36 -47.23 57.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' CG ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -74.88 -41.08 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.85 HD13 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -59.95 -36.27 76.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -68.85 -7.63 36.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CG ' ' HA ' ' A' ' 7' ' ' GLN . 13.1 mm100 -85.33 -27.86 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.655 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -102.64 65.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -111.5 11.17 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 66.96 91.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 173.8 -37.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.769 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -160.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.37 -56.08 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.32 59.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 3.3 mmtt -120.7 135.44 24.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.95 -170.56 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.3 mt -123.61 102.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 1.096 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 8.5 m-30 -120.14 134.38 55.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.973 HG11 ' OH ' ' A' ' 38' ' ' TYR . 9.8 t -114.06 148.68 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -109.18 131.29 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.574 ' CD1' ' CD2' ' A' ' 88' ' ' PHE . 3.9 mt -137.2 109.56 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' CD ' ' HB2' ' A' ' 85' ' ' GLU . 4.3 mtpp 68.56 12.69 8.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 100.06 13.94 35.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HD3' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -114.03 127.02 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.85 HG22 HD13 ' A' ' 8' ' ' LEU . 26.0 t -81.1 122.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 37.7 m-85 -115.27 159.06 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.567 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -101.81 125.36 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.034 HG21 ' CD2' ' A' ' 38' ' ' TYR . 5.1 m -127.73 6.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.567 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.52 -25.68 7.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 p -56.32 -9.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.9 45.74 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.6 pttt -49.44 -24.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -17.39 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' O ' ' N ' ' A' ' 43' ' ' ASP . 42.5 m-85 -107.72 -43.23 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.034 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -94.67 -39.02 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -48.25 178.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.2 p -37.81 132.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.84 82.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -142.46 177.91 21.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 37' ' ' PHE . 48.8 m-20 -45.88 -50.95 13.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.837 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 4.4 m-85 -97.8 56.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 3.1 m -73.07 -33.51 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.537 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.53 -22.82 34.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.704 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 9.5 m-30 -84.23 -35.6 23.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' HB2' ' A' ' 12' ' ' ASN . . . -47.17 134.86 10.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 49.94 32.73 19.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.652 ' HB3' HG21 ' A' ' 66' ' ' VAL . 35.5 mtpt -157.23 152.19 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.697 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 62.7 t0 -90.43 94.14 9.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.952 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -84.83 49.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 p -75.48 -47.57 26.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 73' ' ' LEU . 4.8 mtm180 -63.85 -47.93 78.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -57.97 -41.05 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.952 HD13 ' O ' ' A' ' 52' ' ' ALA . 5.0 mp -57.65 -37.01 72.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -63.96 -81.45 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.3 OUTLIER -56.84 -26.09 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.669 ' SD ' HG21 ' A' ' 80' ' ' THR . 0.0 OUTLIER 68.93 50.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 -17.69 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 46' ' ' MET . 0.4 OUTLIER 60.21 14.4 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.575 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.0 m120 -61.85 139.89 58.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -72.08 -20.69 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -22.1 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 5.3 m-20 -72.19 -47.9 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.661 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -47.62 118.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -136.12 136.33 22.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.697 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 6.97 3.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.58 133.58 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.038 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -87.22 23.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.83 58.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.12 -26.79 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -46.85 111.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.847 HG23 ' OE2' ' A' ' 77' ' ' GLU . 27.9 p -78.31 -171.37 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.61 -42.75 77.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 4.8 ptpt -51.78 -51.93 52.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.847 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.3 pm0 -75.01 -41.14 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -56.47 -49.72 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -51.75 -47.61 64.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.669 HG21 ' SD ' ' A' ' 59' ' ' MET . 48.9 m -80.56 -49.94 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -57.39 -58.59 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' ILE . 9.2 t-20 -49.12 -35.41 16.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.18 -32.92 56.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.926 ' HB3' HD23 ' A' ' 56' ' ' LEU . 21.0 m95 -59.78 -30.68 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.631 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -65.07 -52.01 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.2 m -58.69 -30.22 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.592 ' HE2' ' CE3' ' A' ' 84' ' ' TRP . 10.5 mtpt -77.91 -40.85 38.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.613 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.0 OUTLIER -81.22 -39.39 25.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.631 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -70.7 -33.6 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -89.45 19.84 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 3.8 mttt -146.07 -61.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.903 ' CD2' HG12 ' A' ' 31' ' ' VAL . 18.1 m-85 -86.87 128.45 56.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.98 24.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.8 OUTLIER -93.14 109.42 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.096 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 32.3 m -89.53 2.91 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 169.49 173.44 37.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.672 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -124.91 127.32 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' GLY . 14.0 t -44.81 146.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -151.59 -52.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.522 ' N ' HG12 ' A' ' 99' ' ' VAL . 48.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmm -62.91 -38.25 90.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' MET . 5.2 mt-10 57.51 115.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.853 ' HB2' HG21 ' A' ' 28' ' ' VAL . 46.5 m-85 -109.32 130.64 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.433 ' HB ' ' C ' ' A' ' 100' ' ' SER . 41.7 p -76.41 154.77 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.44 -30.01 38.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 3.7 mt-10 -72.02 -46.12 58.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -73.2 -42.33 62.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD13 HG22 ' A' ' 28' ' ' VAL . 1.5 tp -58.43 -33.47 69.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -70.55 -7.13 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 7' ' ' GLN . 2.8 mt-30 -99.21 6.59 46.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 71.6 m-85 -131.46 57.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 1.2 p-10 -107.11 11.36 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.59 95.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.74 -172.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.03 -94.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LYS . 35.1 m -109.92 -3.93 16.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -35.73 127.36 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.02 166.25 29.57 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.801 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.675 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.0 mp -100.62 123.72 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HB3' HG13 ' A' ' 28' ' ' VAL . 20.7 m-30 -129.04 129.4 45.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.865 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 10.9 t -109.61 151.99 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . . . -109.38 131.96 54.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD11 HD13 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -136.16 110.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.773 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.7 mtpm? 63.7 15.36 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.57 16.69 28.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.672 ' CD ' ' CZ ' ' A' ' 29' ' ' PHE . 14.2 ttm180 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.853 HG21 ' HB2' ' A' ' 3' ' ' PHE . 41.1 t -82.0 120.88 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.672 ' CZ ' ' CD ' ' A' ' 27' ' ' ARG . 31.8 m-85 -112.93 167.76 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' OD2' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER -111.56 123.78 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.037 HG21 ' CD2' ' A' ' 38' ' ' TYR . 6.2 m -128.47 6.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.524 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.07 -23.88 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -54.71 -10.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.52 49.45 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -49.57 -27.47 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.546 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -59.39 -15.17 15.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CA ' ' HB2' ' A' ' 43' ' ' ASP . 13.7 m-85 -108.9 -43.2 4.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.037 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -96.0 -40.37 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -59.07 -104.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.41 74.47 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 36' ' ' SER . . . -148.93 -44.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.619 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . 129.12 131.87 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.626 ' HB2' ' CA ' ' A' ' 37' ' ' PHE . 1.3 m-20 145.07 -43.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.903 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 8.2 m-85 -147.19 20.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -28.64 3.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.947 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.585 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.08 -26.02 34.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.758 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 11.7 m-30 -87.49 -34.63 18.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 127.97 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 58.24 30.99 65.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 9.8 mtpt -158.99 151.07 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.734 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 46.6 t0 -85.82 109.09 18.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -96.85 52.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -53.43 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.679 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.92 -45.01 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -59.72 -34.78 73.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 52' ' ' ALA . 15.4 mt -72.17 -47.08 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -60.33 -68.94 1.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' CG ' ' OE1' ' A' ' 77' ' ' GLU . 9.8 mttm -60.48 -26.59 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 1.3 mtp 67.67 48.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -22.55 12.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 60.38 20.14 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 24.5 t-20 -70.18 129.29 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -57.5 -18.87 21.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' H ' ' CG ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -90.31 -22.03 21.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 7.5 m-20 -75.75 -17.94 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -71.03 92.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 54' ' ' ARG . 63.5 p -115.23 127.95 26.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.734 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 6.0 3.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.74 122.42 11.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -78.48 54.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.57 14.59 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -159.51 24.2 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.679 HD21 ' HG2' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -80.56 102.62 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.063 HG22 ' CD ' ' A' ' 77' ' ' GLU . 9.0 t -70.82 -170.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 1.3 mt-10 -69.44 -42.25 75.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -52.91 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 1.063 ' CD ' HG22 ' A' ' 74' ' ' THR . 1.9 pm0 -75.28 -44.09 47.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.21 -29.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -86.19 -46.68 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.705 HG22 ' CD1' ' A' ' 84' ' ' TRP . 22.1 m -75.89 -46.85 27.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -57.27 -56.02 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.558 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.8 m-20 -48.6 -54.72 13.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.705 ' CD1' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -59.83 -40.76 89.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 4.3 tt0 -60.99 -49.37 77.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 m -59.98 -32.96 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.1 mttm -76.48 -39.1 54.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -77.95 -40.11 40.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.91 -30.96 64.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -84.0 8.77 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -136.76 -62.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.914 ' CG ' HG12 ' A' ' 31' ' ' VAL . 22.3 m-85 -84.88 127.95 62.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.03 144.46 30.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER -97.62 111.28 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.7 m -92.6 10.16 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.53 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 160.74 171.05 26.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -119.83 127.05 52.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.591 HG21 ' HB1' ' A' ' 23' ' ' ALA . 9.5 t -46.22 126.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -89.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.433 ' C ' ' HB ' ' A' ' 4' ' ' THR . 71.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . 0.543 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.3 Cg_endo -74.98 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 2' ' ' GLU . 47.3 mtp -72.31 -33.33 67.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.8 mt-10 52.49 105.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.829 ' HB2' HG21 ' A' ' 28' ' ' VAL . 65.4 m-85 -108.2 131.22 54.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -75.1 155.1 37.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.53 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 31.6 mt-10 -71.5 -46.6 59.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.593 ' O ' ' CE2' ' A' ' 11' ' ' TYR . 58.2 mm-40 -72.95 -37.15 67.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.023 HD13 HG22 ' A' ' 28' ' ' VAL . 1.1 tp -65.78 -30.02 70.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -76.69 4.14 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' CD ' ' HA ' ' A' ' 7' ' ' GLN . 10.5 mt-30 -99.51 13.71 32.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 7' ' ' GLN . 33.7 m-85 -139.33 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.585 ' CA ' ' HB1' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -89.77 16.39 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.11 103.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 175.48 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 7.1 m-20 -71.09 -174.95 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.55 -51.46 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.8 m -95.22 -49.5 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -37.87 122.75 1.0 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.98 -162.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.9 mp -123.89 118.13 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.649 ' HB3' HG13 ' A' ' 28' ' ' VAL . 22.1 m-30 -124.7 138.2 54.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.961 HG11 ' OH ' ' A' ' 38' ' ' TYR . 4.1 t -116.84 149.89 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.26 132.3 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 ' CG2' ' HB2' ' A' ' 85' ' ' GLU . 4.8 mt -142.16 112.24 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.679 ' HE3' HD23 ' A' ' 70' ' ' LEU . 10.3 mmmm 67.11 13.4 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 98.09 16.13 33.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HD3' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -116.09 128.49 55.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.023 HG22 HD13 ' A' ' 8' ' ' LEU . 39.9 t -82.26 121.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 89' ' ' GLU . 52.3 m-85 -116.79 146.27 42.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.645 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 1.9 m-20 -92.73 131.05 38.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.103 HG21 ' CD2' ' A' ' 38' ' ' TYR . 13.1 m -132.44 8.12 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -52.01 -24.41 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.448 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.9 p -56.6 -9.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.32 46.52 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -50.1 -23.46 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.88 -18.26 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 11.3 m-85 -108.18 -45.12 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.103 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -91.07 -37.57 13.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -43.27 169.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.9 t -36.08 126.84 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.8 87.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -152.84 -177.34 26.34 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -40.09 -50.72 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.823 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.9 m-85 -105.92 60.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -74.07 -32.56 63.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.95 -29.61 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.598 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 8.9 m-30 -78.36 -34.25 48.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HB1' ' CA ' ' A' ' 12' ' ' ASN . . . -47.13 131.25 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 46.93 37.09 9.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.734 ' HB3' HG11 ' A' ' 66' ' ' VAL . 3.2 mtpm? -158.54 149.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.764 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.866 ' O ' HG13 ' A' ' 66' ' ' VAL . 13.2 t0 -88.1 119.9 28.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -109.97 60.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.43 ' HB3' HD22 ' A' ' 81' ' ' LEU . 1.2 m -74.03 -55.9 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.965 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.844 ' HG2' HD21 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -69.08 -40.58 78.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -60.41 -41.37 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 34.7 mt -70.02 -49.36 52.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.725 ' O ' HG21 ' A' ' 80' ' ' THR . . . -54.93 -75.16 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -21.03 56.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.8 mtp 74.99 45.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.756 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -124.08 143.71 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HB2' ' SD ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -90.69 20.88 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . 2.8 m120 -57.28 148.09 23.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.18 -24.14 51.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.67 -20.96 23.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 2.7 m-20 -68.88 -17.37 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 51' ' ' ASP . 21.8 t -80.95 98.73 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -120.9 125.16 27.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.791 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -74.98 6.23 3.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.511 1.796 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.12 140.14 22.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.679 HD23 ' HE3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -73.69 54.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 12.5 pt-20 -98.32 67.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.48 -8.99 2.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 54' ' ' ARG . 1.9 mm? -57.49 108.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 1.4 p -78.79 -169.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -69.15 -43.07 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -51.06 -51.24 55.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -76.72 -44.99 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.53 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -49.83 -30.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -83.69 -44.46 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.725 HG21 ' O ' ' A' ' 57' ' ' GLY . 19.9 m -75.89 -47.13 26.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -58.44 -54.9 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -45.79 -52.36 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -63.72 -38.58 91.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -59.31 -45.08 92.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.578 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 6.7 tt0 -61.43 -49.2 77.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.552 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.7 m -60.22 -32.54 71.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 12.1 mttm -76.06 -39.75 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' O ' ' N ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER -78.56 -40.5 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -71.74 -30.08 65.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -87.81 0.84 55.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -126.24 -68.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.897 ' CG ' HG12 ' A' ' 31' ' ' VAL . 14.2 m-85 -76.47 133.1 71.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.05 137.32 21.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -94.01 108.57 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.536 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 13.2 m -86.0 3.35 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 94' ' ' VAL . . . 165.23 172.78 33.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.064 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.567 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.56 129.75 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.577 HG21 ' HB1' ' A' ' 23' ' ' ALA . 55.9 t -50.69 149.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 -51.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.618 ' O ' ' C ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -90.1 34.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.618 ' C ' ' O ' ' A' ' 1' ' ' MET . 3.4 mt-10 -17.86 121.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.834 ' HB2' HG21 ' A' ' 28' ' ' VAL . 29.4 m-85 -108.24 130.8 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 100' ' ' SER . 58.6 p -81.8 152.0 27.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.11 -28.81 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.26 -47.13 58.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.1 mp0 -74.15 -41.49 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.801 HD13 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.796 ' N ' HD13 ' A' ' 8' ' ' LEU . 43.4 t -58.25 -13.19 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 7.4 mm100 -77.5 -13.48 59.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE2' ' HG3' ' A' ' 18' ' ' LYS . 14.8 m-85 -128.95 68.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -119.74 21.78 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.66 ' O ' HG23 ' A' ' 14' ' ' THR . . . 80.58 86.66 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.11 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -159.43 -44.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.764 . . . . 0.0 110.405 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.449 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 2.1 m-20 -83.46 -176.02 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -94.59 -79.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -57.2 -49.22 76.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.614 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -41.36 121.53 2.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 -169.37 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 38' ' ' TYR . 3.4 mp -123.74 129.8 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.557 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.4 m-30 -127.38 138.79 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.964 HG11 ' OH ' ' A' ' 38' ' ' TYR . 6.2 t -118.25 147.44 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.631 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -107.66 137.58 45.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.633 HD11 ' CD2' ' A' ' 88' ' ' PHE . 17.8 mt -147.62 110.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.696 ' HG2' HD11 ' A' ' 81' ' ' LEU . 1.1 mtpm? 67.79 13.07 9.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 99.41 15.51 32.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 1.2 ttm180 -114.59 131.03 56.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' ' 3' ' ' PHE . 85.1 t -88.35 126.99 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' HG22 ' A' ' 94' ' ' VAL . 49.1 m-85 -121.43 151.87 39.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.62 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -97.34 126.13 42.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.076 HG21 ' CD2' ' A' ' 38' ' ' TYR . 11.2 m -128.73 5.81 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.573 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.03 -23.63 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 33' ' ' THR . 25.5 p -55.58 -9.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -154.5 48.12 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.69 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.3 pttt -49.28 -25.03 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -17.53 15.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.607 ' O ' ' N ' ' A' ' 43' ' ' ASP . 74.3 m-85 -109.08 -41.9 4.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.076 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -96.54 -37.64 10.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -53.22 -115.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.12 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.057 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 64.19 0.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 40' ' ' SER . . . -88.98 -139.8 7.21 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.6 m-20 -94.9 -32.13 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 1.8 m-85 -110.84 49.11 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 p -66.41 -31.64 72.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.532 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -84.88 -30.07 24.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.9 m-30 -72.65 -36.01 67.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -45.3 126.18 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.796 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 49.74 39.68 31.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' HG11 ' A' ' 66' ' ' VAL . 21.1 mtmt -156.86 139.64 15.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.734 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 11.9 t0 -77.04 112.86 14.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.717 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -104.96 58.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 73' ' ' LEU . 27.1 p -74.21 -54.03 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 1.7 mtm180 -67.49 -40.59 85.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 60' ' ' SER . . . -61.01 -45.19 95.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.943 HD23 ' HB3' ' A' ' 84' ' ' TRP . 5.1 mp -61.48 -48.83 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.597 ' O ' HG21 ' A' ' 80' ' ' THR . . . -52.3 -80.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HG3' ' OE1' ' A' ' 77' ' ' GLU . 2.4 mttm -56.53 -20.94 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 mtp 74.25 42.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.6 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -115.04 168.84 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -110.5 17.76 20.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.6 146.3 16.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.22 -23.58 51.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.61 -20.5 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 11.6 m-20 -68.54 -26.11 65.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 50' ' ' LYS . 2.1 t -78.17 90.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 2.3 t -119.09 129.48 25.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.734 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.0 7.94 2.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.809 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -150.77 106.43 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.711 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -33.02 -48.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.69 ' C ' ' O ' ' A' ' 70' ' ' LEU . 16.4 mt-10 -0.81 77.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 138.63 -39.08 1.61 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -40.48 114.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.838 HG23 ' OE2' ' A' ' 77' ' ' GLU . 29.2 p -77.97 -170.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -69.2 -42.23 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 3.4 ptpt -52.41 -51.94 56.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.838 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.8 pm0 -75.46 -42.11 54.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -51.98 -28.21 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -84.76 -47.31 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 57' ' ' GLY . 24.2 m -75.12 -46.96 31.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.759 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -55.97 -54.67 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.506 ' N ' HD13 ' A' ' 81' ' ' LEU . 2.1 m-80 -53.37 -37.82 62.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -71.39 -34.55 70.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.943 ' HB3' HD23 ' A' ' 56' ' ' LEU . 12.7 m95 -61.34 -38.43 86.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -67.53 -47.28 70.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 1.3 m -63.19 -33.7 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 83' ' ' ASP . 11.5 mttt -73.72 -39.66 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.633 ' CD2' HD11 ' A' ' 24' ' ' ILE . 1.1 m-30 -75.8 -42.95 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.9 -19.46 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -90.5 -9.82 45.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -69.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.964 ' CD2' HG12 ' A' ' 31' ' ' VAL . 11.2 m-85 -67.2 138.89 94.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.2 Cg_endo -75.01 139.49 24.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' CE1' ' A' ' 29' ' ' PHE . 35.3 t -91.84 109.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.9 m -88.13 -6.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.97 -176.94 38.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.617 ' O ' ' CD ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -126.96 129.37 48.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.631 HG21 ' HB1' ' A' ' 23' ' ' ALA . 37.8 t -45.13 150.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.439 HG21 ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -152.42 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 99' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.5 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLU . 26.6 mmm -65.87 -35.36 80.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.3 mt-10 57.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.725 ' HB2' HG21 ' A' ' 28' ' ' VAL . 9.4 m-85 -109.9 129.98 55.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.562 HG22 HG23 ' A' ' 99' ' ' VAL . 38.2 p -80.89 158.49 25.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -27.11 19.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 2.4 mt-10 -72.82 -47.32 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -73.93 -41.87 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.41 -34.95 71.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 t -69.58 -6.96 34.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 1.2 mt-30 -103.13 16.9 25.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 48.0 m-85 -140.96 56.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.49 4.32 30.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 76.18 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.09 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -62.34 -168.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -53.11 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.09 23.81 11.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.955 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -61.59 134.14 93.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.614 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.99 162.23 37.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.591 HG21 ' HB3' ' A' ' 38' ' ' TYR . 2.2 mp -104.15 121.6 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.933 ' CE1' HG11 ' A' ' 95' ' ' VAL . 22.6 m-85 -129.62 143.84 51.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.872 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 14.2 t -121.21 152.16 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.46 136.34 48.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.493 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -140.39 112.43 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.668 ' HD3' HD11 ' A' ' 81' ' ' LEU . 5.0 mmmt 57.58 19.91 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 97.59 15.24 38.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.527 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -112.06 128.08 56.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' A' ' 3' ' ' PHE . 88.4 t -84.04 123.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 89' ' ' GLU . 55.2 m-85 -120.29 153.65 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -104.26 125.63 50.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.114 HG21 ' CD2' ' A' ' 38' ' ' TYR . 20.2 m -123.91 11.03 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -52.57 -27.58 17.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -9.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.96 46.12 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 39' ' ' GLY . 2.9 ptmt -51.09 -24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -17.74 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 43' ' ' ASP . 96.8 m-85 -108.42 -43.15 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.114 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -92.59 -39.29 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -46.18 176.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.166 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -36.88 133.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 36.3 80.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -141.68 179.29 19.88 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -45.23 -50.15 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.828 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 3.7 m-85 -100.86 59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.2 t -73.87 -32.74 63.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -82.15 -28.11 32.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.5 m-30 -78.54 -36.36 44.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 12' ' ' ASN . . . -47.9 121.78 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 63.11 32.8 85.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.789 ' HB3' HG21 ' A' ' 66' ' ' VAL . 12.7 mttt -157.04 152.0 25.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.734 ' C ' HG23 ' A' ' 66' ' ' VAL . 54.3 t0 -86.86 87.74 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.742 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . . . -83.23 51.55 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 p -74.77 -48.05 27.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.543 ' HG2' HD21 ' A' ' 73' ' ' LEU . 6.6 mtm180 -68.1 -45.68 73.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 59' ' ' MET . . . -59.28 -36.88 76.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.623 ' HB3' ' CD1' ' A' ' 84' ' ' TRP . 8.2 mt -70.76 -40.37 72.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.718 ' O ' HG21 ' A' ' 80' ' ' THR . . . -59.84 -76.54 0.22 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.105 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.6 OUTLIER -61.32 -21.63 64.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 68.94 45.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -97.06 -37.28 10.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 2.9 mtmm 76.06 12.85 2.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.85 137.04 57.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -66.65 -21.98 66.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -91.1 -20.45 22.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 1.8 m-20 -69.58 -46.01 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.789 HG21 ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -49.97 118.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' NE ' ' A' ' 54' ' ' ARG . 9.7 p -130.27 126.29 22.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.718 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 5.66 3.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.43 155.45 44.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.87 50.23 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.57 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 169.85 -27.46 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.879 HD12 ' OE1' ' A' ' 77' ' ' GLU . 3.4 mm? -45.05 101.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.716 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 30.4 p -82.6 -174.91 5.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -67.63 -45.16 76.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 77' ' ' GLU . 3.6 ptpt -52.04 -48.46 64.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.879 ' OE1' HD12 ' A' ' 73' ' ' LEU . 2.3 pp20? -75.38 -40.26 58.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -50.56 -25.56 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -86.13 -43.91 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.718 HG21 ' O ' ' A' ' 57' ' ' GLY . 17.9 m -79.23 -47.4 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -56.54 -55.66 30.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.9 m-80 -47.76 -56.36 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -34.06 72.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.623 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.87 -37.33 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 108.007 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -62.53 -44.29 96.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -63.58 -32.79 74.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 84' ' ' TRP . 6.2 mtpt -73.57 -43.13 60.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' TYR . 2.2 m-85 -77.21 -36.95 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 5.9 mm-40 -72.53 -30.58 64.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -97.5 23.9 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 21.8 mttm -150.71 -67.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.905 ' CD2' HG12 ' A' ' 31' ' ' VAL . 16.4 m-85 -79.79 133.66 58.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -74.96 145.46 31.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.432 HG11 HH11 ' A' ' 27' ' ' ARG . 34.6 t -91.9 108.51 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.933 HG11 ' CE1' ' A' ' 21' ' ' TYR . 2.5 m -85.23 -3.46 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 28' ' ' VAL . . . 155.48 -174.65 33.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -122.11 135.67 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.54 HG21 ' HB1' ' A' ' 23' ' ' ALA . 22.3 t -56.81 128.69 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.562 HG23 HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -108.38 -55.1 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . 0.56 ' CG ' ' NH1' ' A' ' 97' ' ' ARG . 18.4 Cg_endo -75.06 -160.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' GLU . 12.3 mtt -74.32 -33.63 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' HG2' ' NE ' ' A' ' 97' ' ' ARG . 1.4 mp0 54.96 109.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.784 ' HB2' HG21 ' A' ' 28' ' ' VAL . 25.6 m-85 -108.32 128.48 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.486 HG22 HG23 ' A' ' 99' ' ' VAL . 68.9 p -79.68 155.26 28.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.68 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.5 -46.04 56.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.548 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 2.0 tm0? -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.861 HD11 ' C ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -58.35 -43.0 88.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.812 ' N ' HD13 ' A' ' 8' ' ' LEU . 76.8 p -58.17 -14.91 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 8.0 mm100 -70.6 -12.51 61.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 19' ' ' PRO . 21.5 m-85 -132.58 51.19 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.6 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.7 p-10 -93.39 22.96 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.96 105.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 174.68 -34.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.41 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 14.5 m-20 -83.3 -175.5 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -98.21 -82.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -42.25 85.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -49.01 123.07 12.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.605 ' HD2' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.05 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.928 HG21 ' HB3' ' A' ' 38' ' ' TYR . 4.8 mt -125.19 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.652 ' HB3' HG13 ' A' ' 28' ' ' VAL . 23.0 m-30 -127.76 134.76 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 15.4 t -113.33 150.1 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -108.27 132.22 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.616 HG22 ' HB2' ' A' ' 85' ' ' GLU . 82.9 mt -147.2 115.72 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.871 ' HD2' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 68.51 12.81 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 98' ' ' VAL . . . 95.65 13.58 50.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.4 ttm-85 -114.33 133.75 55.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.347 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' ' 3' ' ' PHE . 54.0 t -87.73 121.6 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CD1' HG22 ' A' ' 94' ' ' VAL . 57.4 m-85 -115.37 151.16 35.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.664 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -94.24 127.77 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.899 HG12 ' CE2' ' A' ' 92' ' ' TYR . 32.6 m -129.45 5.52 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.547 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -50.44 -22.47 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 33' ' ' THR . 30.2 p -53.94 -9.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -149.23 53.19 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -49.84 -24.29 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -16.34 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.627 ' O ' ' N ' ' A' ' 43' ' ' ASP . 38.3 m-85 -107.56 -32.39 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.928 ' HB3' HG21 ' A' ' 20' ' ' ILE . 5.3 m-85 -106.38 -40.1 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -44.37 172.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 t -33.3 136.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 38.26 54.27 2.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -106.14 168.3 14.86 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.2 m-20 -39.55 -56.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.637 ' HB3' ' CD2' ' A' ' 47' ' ' PHE . 4.0 m-85 -92.21 37.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLY . 62.5 p -52.04 -23.73 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.572 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -85.35 -32.14 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.637 ' CD2' ' HB3' ' A' ' 44' ' ' TYR . 6.8 m-30 -78.39 -34.97 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -43.1 113.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.861 ' C ' HD11 ' A' ' 8' ' ' LEU . . . 60.08 38.7 94.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' HB3' HG11 ' A' ' 66' ' ' VAL . 1.5 mtpm? -156.31 143.02 18.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.653 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 5.9 t0 -84.07 101.33 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -93.52 59.57 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.723 ' HA ' HD23 ' A' ' 81' ' ' LEU . 14.9 m -74.08 -53.91 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.62 -36.56 78.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.525 ' N ' ' HB3' ' A' ' 65' ' ' ASP . . . -68.23 -38.0 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 52' ' ' ALA . 25.7 mt -71.29 -46.87 59.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -50.87 -74.15 0.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.7 OUTLIER -64.27 -20.23 65.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 5.9 mtp 67.35 50.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.89 -32.33 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 47' ' ' PHE . 0.9 OUTLIER 72.28 4.75 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 64' ' ' GLU . 8.9 t-20 -57.36 136.82 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -16.48 59.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.513 ' CG ' ' OD1' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -91.13 -22.42 20.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-20 -81.41 4.36 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 50' ' ' LYS . 2.7 t -91.08 96.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 4.2 p -123.74 123.16 26.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.653 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.99 6.73 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.25 109.73 5.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.871 HD11 ' HD2' ' A' ' 25' ' ' LYS . 20.3 mt -37.52 -48.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.693 ' C ' ' O ' ' A' ' 70' ' ' LEU . 41.7 mt-10 -2.06 81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 127.88 -34.05 3.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD13 HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -49.2 110.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.024 HG22 ' CD ' ' A' ' 77' ' ' GLU . 7.6 t -80.58 -169.16 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.476 ' N ' ' OG1' ' A' ' 74' ' ' THR . 0.1 OUTLIER -68.52 -40.83 80.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -52.01 -52.82 48.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 1.024 ' CD ' HG22 ' A' ' 74' ' ' THR . 1.5 pm0 -75.48 -43.83 47.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -53.75 -47.05 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -51.08 -53.86 30.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.936 HG22 ' CD1' ' A' ' 84' ' ' TRP . 52.7 m -78.75 -46.82 18.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.781 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -56.67 -57.1 13.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 78' ' ' ILE . 8.5 t-20 -55.68 -50.81 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.455 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 5.9 t0 -63.49 -31.69 72.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.936 ' CD1' HG22 ' A' ' 80' ' ' THR . 3.2 m95 -58.98 -41.85 88.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.616 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -61.9 -45.31 94.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -64.66 -34.3 77.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' OD1' ' A' ' 83' ' ' ASP . 36.6 mtpt -74.38 -42.47 59.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 24' ' ' ILE . 1.5 m-85 -73.36 -42.75 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -71.78 -18.62 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 86' ' ' THR . . . -92.71 -10.65 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -120.13 -71.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.899 ' CE2' HG12 ' A' ' 31' ' ' VAL . 11.8 m-85 -65.46 141.05 97.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG2' ' HB3' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.05 138.2 22.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 29' ' ' PHE . 32.9 t -91.61 110.02 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.54 -9.61 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.9 177.41 38.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' NH1' ' CG ' ' A' ' 0' ' ' PRO . 0.0 OUTLIER -121.71 131.71 54.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 23' ' ' ALA . 51.5 t -49.69 146.43 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.486 HG23 HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -131.23 -48.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -160.95 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' GLU . 36.8 mtp -78.38 -28.2 46.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 3.9 mt-10 49.33 99.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' A' ' 97' ' ' ARG . 80.4 m-85 -107.18 134.19 50.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 p -80.14 151.69 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.7 -30.49 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 13.2 mt-10 -66.99 -48.27 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 2.1 mp0 -75.19 -43.32 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.705 HD13 HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -59.88 -36.62 77.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 t -67.04 -8.59 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 11.8 mm100 -84.89 -27.14 26.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.624 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 1.3 m-30 -105.93 53.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.888 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -88.91 13.49 12.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' SER . . . 65.64 89.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.41 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.432 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -67.99 -157.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.62 -61.3 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LYS . 5.6 m -83.23 -48.07 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -38.65 119.37 1.09 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.99 -164.32 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.2 mt -124.4 103.26 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 1.037 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 10.8 m-30 -120.45 139.84 52.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.809 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 61.9 t -112.89 165.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.686 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -130.62 130.45 43.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.831 HD11 ' CD2' ' A' ' 56' ' ' LEU . 2.0 mt -142.74 109.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CG ' HD11 ' A' ' 81' ' ' LEU . 6.1 mtpp 70.4 13.03 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.488 ' C ' ' HB ' ' A' ' 98' ' ' VAL . . . 97.55 12.73 46.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -108.78 125.92 52.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.865 HG23 HG23 ' A' ' 98' ' ' VAL . 17.4 t -81.15 121.98 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CE1' ' HA ' ' A' ' 89' ' ' GLU . 47.9 m-85 -116.85 153.53 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.632 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -100.09 123.28 44.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.06 HG21 ' CD2' ' A' ' 38' ' ' TYR . 9.0 m -123.25 5.57 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.562 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -51.41 -25.31 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -55.43 -9.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -153.06 49.3 0.52 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.699 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -51.03 -23.03 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -17.59 26.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 43' ' ' ASP . 60.7 m-85 -108.19 -41.6 4.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.06 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -96.56 -36.72 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -47.68 -179.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' GLY . 2.0 t -33.71 125.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 33.64 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -144.01 -175.43 17.12 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -47.09 -47.25 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.869 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 7.1 m-85 -101.15 57.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -73.06 -32.04 64.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -29.94 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.609 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 15.9 m-30 -77.76 -36.66 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.888 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -47.06 127.91 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 51.81 34.55 37.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.789 ' HB3' HG11 ' A' ' 66' ' ' VAL . 11.3 mttm -157.04 149.61 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.889 ' O ' HG13 ' A' ' 66' ' ' VAL . 28.7 t0 -86.48 124.4 32.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.609 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . . . -115.71 54.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.494 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.3 t -75.01 -56.33 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.665 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -68.1 -34.45 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB2' ' CG ' ' A' ' 65' ' ' ASP . . . -59.88 -46.07 90.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.985 HD23 ' HB3' ' A' ' 84' ' ' TRP . 3.2 mp -62.69 -44.95 94.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.593 ' HA3' ' CB ' ' A' ' 77' ' ' GLU . . . -52.33 -76.07 0.19 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' CE ' ' HD3' ' A' ' 54' ' ' ARG . 17.5 mttm -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 57' ' ' GLY . 79.9 mtp 67.63 54.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -109.45 -21.07 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.94 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 54.45 18.75 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.626 ' N ' ' OD2' ' A' ' 65' ' ' ASP . 4.0 m120 -62.17 155.77 23.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.65 -21.14 45.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.1 -35.24 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.766 ' CG ' ' HB2' ' A' ' 55' ' ' ALA . 43.3 p30 -56.71 -24.07 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 51' ' ' ASP . 52.8 t -48.02 104.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -116.39 108.9 44.74 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.761 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.2 2.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.17 135.76 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -79.24 52.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -101.41 55.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 163.56 -26.19 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -40.39 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.869 HG23 ' OE2' ' A' ' 77' ' ' GLU . 27.0 p -77.69 -172.35 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.3 OUTLIER -68.27 -43.11 78.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.94 -51.29 58.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.869 ' OE2' HG23 ' A' ' 74' ' ' THR . 1.6 pm0 -76.69 -41.65 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.54 ' CG1' ' O ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -52.16 -28.77 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -85.18 -47.44 10.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 57' ' ' GLY . 56.7 m -74.42 -46.77 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.775 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -58.33 -56.37 22.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.547 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -46.8 -49.04 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -61.41 -38.97 89.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.985 ' HB3' HD23 ' A' ' 56' ' ' LEU . 7.0 m95 -61.92 -35.98 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -63.53 -50.69 68.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.822 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.5 m -60.56 -30.37 69.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.2 mtpm? -75.72 -40.44 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' CD2' ' HD2' ' A' ' 92' ' ' TYR . 1.2 m-85 -81.25 -42.78 20.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.599 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.91 -35.49 76.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -91.61 30.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 73.3 mttt -152.3 -53.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.894 ' CD2' HG12 ' A' ' 31' ' ' VAL . 16.3 m-85 -91.18 133.83 31.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' ASP . 18.1 Cg_endo -75.01 137.07 21.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 28' ' ' VAL . 38.3 t -84.08 106.69 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.037 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 28.3 m -82.25 -33.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.452 ' C ' ' HB ' ' A' ' 28' ' ' VAL . . . -156.83 -158.89 9.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -136.15 146.99 47.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.865 HG23 HG23 ' A' ' 28' ' ' VAL . 23.5 t -85.26 135.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -127.38 -88.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.448 ' H ' HG23 ' A' ' 99' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -160.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 3' ' ' PHE . 0.4 OUTLIER -73.93 -34.0 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 1.4 mt-10 59.39 107.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.641 ' HB2' HG21 ' A' ' 28' ' ' VAL . 91.3 m-85 -109.35 127.4 54.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.8 p -78.99 163.37 25.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -53.73 -30.82 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.85 -47.04 61.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.772 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.7 mt-30 -72.57 -33.49 66.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.883 HD13 HG22 ' A' ' 28' ' ' VAL . 2.2 tp -77.3 -23.72 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' ALA . 18.8 t -80.36 -3.89 51.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 12.0 pt20 -113.14 24.99 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.772 ' CD2' ' O ' ' A' ' 7' ' ' GLN . 27.3 m-85 -142.08 51.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' HB2' ' CB ' ' A' ' 48' ' ' ALA . 1.8 p-10 -109.35 15.73 22.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.21 102.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.45 -46.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.78 21.62 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -53.29 133.3 52.1 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.97 155.3 43.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.471 1.774 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 38' ' ' TYR . 1.9 mp -93.74 117.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.173 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.549 ' CE1' HG21 ' A' ' 95' ' ' VAL . 16.0 m-30 -129.35 128.57 43.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.817 HG21 ' CZ ' ' A' ' 38' ' ' TYR . 14.5 t -106.91 177.67 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.719 ' H ' HG12 ' A' ' 22' ' ' VAL . . . -138.02 135.33 35.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.511 HD12 ' CD2' ' A' ' 88' ' ' PHE . 8.0 mt -147.26 109.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 4.2 mmmt 72.4 14.02 5.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.526 ' O ' ' CD ' ' A' ' 97' ' ' ARG . . . 95.94 8.67 57.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 3.1 ttm180 -107.39 128.73 54.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 98' ' ' VAL . 10.0 t -84.44 121.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.663 ' CD1' HG22 ' A' ' 94' ' ' VAL . 47.1 m-85 -114.93 161.02 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.628 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -103.88 127.31 51.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.978 HG21 ' CD2' ' A' ' 38' ' ' TYR . 12.1 m -127.7 4.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -51.79 -23.76 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -54.79 -10.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -152.45 47.84 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' GLY . 25.7 pttt -49.5 -24.09 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -57.92 -18.7 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.953 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' ASP . 24.9 m-85 -109.09 -44.91 3.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.978 ' CD2' HG21 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -90.39 -38.35 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.933 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' LYS . . . -76.73 165.59 53.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLY . 30.1 t 38.56 50.45 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' SER . . . 35.51 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' PHE . . . -128.61 -143.1 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -38.38 -44.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.846 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 5.2 m-85 -115.26 53.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 p -69.39 -32.04 70.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -81.71 -28.94 33.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 7.8 m-30 -81.32 -36.22 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HB2' ' A' ' 12' ' ' ASN . . . -42.61 119.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.505 ' O ' ' CG ' ' A' ' 50' ' ' LYS . . . 59.26 37.34 91.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.641 ' HB3' HG21 ' A' ' 66' ' ' VAL . 12.2 mtpt -156.22 148.67 23.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 39.0 t0 -85.97 87.65 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.964 ' O ' HD13 ' A' ' 56' ' ' LEU . . . -81.19 53.92 2.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 6.0 p -77.36 -47.7 19.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 67' ' ' SER . 6.9 mtp180 -66.34 -44.48 83.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.55 ' HB1' ' HA ' ' A' ' 61' ' ' LYS . . . -59.24 -42.7 91.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.032 HD23 ' HB3' ' A' ' 84' ' ' TRP . 6.8 mp -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.491 ' O ' HG21 ' A' ' 80' ' ' THR . . . -58.86 -75.63 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 59' ' ' MET . 0.0 OUTLIER -56.57 -26.5 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 13.2 mtp 68.26 47.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -108.73 -15.28 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.55 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.6 OUTLIER 52.69 19.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.577 ' O ' HG12 ' A' ' 66' ' ' VAL . 3.1 m120 -67.38 140.0 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' O ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -68.53 -21.05 64.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.97 -21.55 22.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 5.7 m-20 -73.05 -46.4 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.665 HG23 ' C ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -52.13 119.39 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -136.63 135.23 20.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.687 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 8.26 2.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.574 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 73' ' ' LEU . 69.9 mt -26.64 -55.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.19 -156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.68 47.54 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.846 HD13 ' HB2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -59.49 114.83 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.762 HG22 ' CG ' ' A' ' 77' ' ' GLU . 6.3 t -74.92 -174.49 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.502 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -67.68 -43.59 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 5.9 ptpt -51.21 -47.95 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.846 ' HB2' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -80.26 -43.09 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -52.33 -29.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -88.94 -44.27 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 57' ' ' GLY . 63.5 m -76.25 -48.55 19.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.799 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -57.68 -59.76 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.466 ' CG ' ' O ' ' A' ' 78' ' ' ILE . 2.9 m-20 -50.52 -40.82 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -66.4 -38.53 87.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 1.032 ' HB3' HD23 ' A' ' 56' ' ' LEU . 7.9 m95 -59.33 -38.05 79.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 24' ' ' ILE . 10.8 tt0 -63.1 -46.35 87.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.682 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.5 m -62.33 -25.02 67.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' ASP . 1.8 mttm -85.98 -37.68 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.511 ' CD2' HD12 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -77.75 -46.63 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.616 ' OE1' ' N ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -69.57 -19.17 63.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -104.49 25.42 10.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -152.11 -46.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.843 ' CD2' HG12 ' A' ' 31' ' ' VAL . 15.8 m-85 -96.76 136.55 21.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' A' ' 30' ' ' ASP . 18.3 Cg_endo -75.02 139.88 24.73 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.663 HG22 ' CD1' ' A' ' 29' ' ' PHE . 59.0 t -87.68 109.46 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 21' ' ' TYR . 19.2 m -88.05 -18.75 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -175.62 -177.01 44.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -127.16 126.45 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 28' ' ' VAL . 71.6 t -58.14 150.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.73 -49.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 -179.965 . . . . . . . . 0 0 . 1 stop_ save_